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- 12:44 PM GROMACS Bug #3219 (New): MANPATH setting is fragile
- In Ubuntu 18.04, with TeXLive, I have:...
- 09:59 AM GROMACS Feature #1016: Add TIP5P-E water model
- I guess I could, but it is quite inconvenient to be forced to install all the source code (and I'd have to find out h...
- 06:46 PM GROMACS Feature #1016 (Closed): Add TIP5P-E water model
- It's very easy, just add a new atom type (in OPLS-AA force-field):
opls_118E OW 8 15.99940 0.000 A...
- 12:43 PM GROMACS Bug #930: trjconv does not write velocities in .gro
- OK, done (I think).
- 02:12 PM GROMACS Bug #930: trjconv does not write velocities in .gro
- Yes, I've tried and it works fine, at least where I need it (I just wanted to create .gro files with velocities from ...
- 12:48 PM GROMACS Bug #930 (Closed): trjconv does not write velocities in .gro
- This simple command:
$ trjconv -f traj.cpt -s topol.tpr -o output.gro
results in a .gro file with no velocit...
- 11:04 AM GROMACS Bug #170 (Closed): Wrong "inbox" option in trjconv -h
- (This refers to version 3.3.2)
The help text for "trjconv -h" says:
Option -ur sets the unit cell representation fo...
- 11:00 AM GROMACS Bug #169: trjconv's -ur option does not work
- OK, I found the problem. I have to use "-pbc atom" (for example) in the trjconv command. This has changed with respec...
- 09:38 PM GROMACS Bug #169: trjconv's -ur option does not work
- OK, there was a mistake, but it still does not work for me and it worked with the trjconv from 3.3.1. To avoid more m...
- 07:56 PM GROMACS Bug #169 (Closed): trjconv's -ur option does not work
- This bug refers to version 3.3.2, but it is not available in the list.
When trying use the -ur option of trjconv to ...
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