Project

General

Profile

Task #2115

trjconv does too many things, and combinations of them work poorly

Added by Mark Abraham over 2 years ago. Updated 11 months ago.

Status:
New
Priority:
Normal
Assignee:
-
Category:
analysis tools
Target version:
-
Difficulty:
uncategorized
Close

Description

For now, this issue is just collecting links to related Redmine issues (including fixed and unfixed bugs, and feature requests).

How we want this to work via modular components will likely need to consider the needs of a future (e.g. python) API.


Related issues

Related to GROMACS - Bug #2052: trjconv does not recognize periodic moleculesNew
Related to GROMACS - Bug #1832: 'gmx trjconv -dump t' gives no output if t < frame timestep Closed
Related to GROMACS - Bug #2114: gmx trjconv -pbc cluster claims to have -clustercenter option but does not (5.1.2)Closed
Related to GROMACS - Bug #1705: trjcat append feature is brokenClosed
Related to GROMACS - Feature #1167: trjconv -center would be more intuitive if it centered the center of mass, not the midpoint between minimum and maximum valuesNew02/28/2013
Related to GROMACS - Bug #2081: trjconv should respect "-pbc whole" when another flag "-sep" is usedClosed
Related to GROMACS - Task #2166: gmx trjconv functionality should check for mismatch between the tpr and the trajectoryAccepted
Related to GROMACS - Bug #2225: gmx trjcat -o pdb doesn't workClosed

History

#1 Updated by Mark Abraham over 2 years ago

  • Related to Bug #2052: trjconv does not recognize periodic molecules added

#2 Updated by Mark Abraham over 2 years ago

  • Related to Bug #1832: 'gmx trjconv -dump t' gives no output if t < frame timestep added

#3 Updated by Mark Abraham over 2 years ago

  • Related to Bug #2114: gmx trjconv -pbc cluster claims to have -clustercenter option but does not (5.1.2) added

#4 Updated by Mark Abraham over 2 years ago

Many commits have just fixed things without referencing an issue, including 91fd36e3

#5 Updated by Mark Abraham over 2 years ago

  • Related to Bug #1705: trjcat append feature is broken added

#6 Updated by Mark Abraham over 2 years ago

  • Related to Feature #1167: trjconv -center would be more intuitive if it centered the center of mass, not the midpoint between minimum and maximum values added

#7 Updated by Mark Abraham over 2 years ago

  • Related to Bug #2081: trjconv should respect "-pbc whole" when another flag "-sep" is used added

#8 Updated by Mark Abraham over 2 years ago

  • Related to Task #2166: gmx trjconv functionality should check for mismatch between the tpr and the trajectory added

#9 Updated by Mark Abraham about 2 years ago

  • Related to Bug #2225: gmx trjcat -o pdb doesn't work added

#10 Updated by Gerrit Code Review Bot over 1 year ago

Gerrit received a related DRAFT patchset '1' for Issue #2115.
Uploader: Paul Bauer ()
Change-Id: gromacs~master~I0e7a761ecd1b425254fa027675b528c4e3c3b39e
Gerrit URL: https://gerrit.gromacs.org/7500

#11 Updated by Gerrit Code Review Bot over 1 year ago

Gerrit received a related DRAFT patchset '1' for Issue #2115.
Uploader: Paul Bauer ()
Change-Id: gromacs~master~I9d8717c7a6a708f9bdd83e3a8cc478b5a8725be6
Gerrit URL: https://gerrit.gromacs.org/7561

#12 Updated by Gerrit Code Review Bot over 1 year ago

Gerrit received a related patchset '1' for Issue #2115.
Uploader: Paul Bauer ()
Change-Id: gromacs~master~Ie91d620c0ea25b7436f5745626b973ec97175d29
Gerrit URL: https://gerrit.gromacs.org/7562

#13 Updated by Gerrit Code Review Bot 11 months ago

Gerrit received a related patchset '13' for Issue #2115.
Uploader: Paul Bauer ()
Change-Id: gromacs~master~I1413721faa1383a9d3b8f14cdbea2bcc3089273f
Gerrit URL: https://gerrit.gromacs.org/8285

Also available in: Atom PDF