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Feature #2272

pdb2gmx does not accept tips3p as a water model

Added by David van der Spoel over 1 year ago. Updated over 1 year ago.

Status:
Closed
Priority:
Low
Category:
-
Target version:
Difficulty:
simple
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Description

Despite being supported by gromacs, pdb2gmx does not accept tips3p as a water model. This should be fixed since it is the default water model in charmm.

Associated revisions

Revision 6d6a726e (diff)
Added by David van der Spoel over 1 year ago

Added option -water tips3p to pdb2gmx.

Fixes #2272

Change-Id: Ibfc63009767fd667df51ff10041791268351e1ca

History

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

Gerrit received a related patchset '1' for Issue #2272.
Uploader: David van der Spoel ()
Change-Id: gromacs~master~Ibfc63009767fd667df51ff10041791268351e1ca
Gerrit URL: https://gerrit.gromacs.org/7039

#2 Updated by Mark Abraham over 1 year ago

  • Target version set to 2018

#3 Updated by David van der Spoel over 1 year ago

  • Status changed from Accepted to Resolved

#4 Updated by Mark Abraham over 1 year ago

  • Status changed from Resolved to Closed

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