Feature #2272
pdb2gmx does not accept tips3p as a water model
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
History
#1 Updated by Gerrit Code Review Bot over 2 years ago
Gerrit received a related patchset '1' for Issue #2272.
Uploader: David van der Spoel (davidvanderspoel@gmail.com)
Change-Id: gromacs~master~Ibfc63009767fd667df51ff10041791268351e1ca
Gerrit URL: https://gerrit.gromacs.org/7039
#2 Updated by Mark Abraham about 2 years ago
- Target version set to 2018
#3 Updated by David van der Spoel about 2 years ago
- Status changed from Accepted to Resolved
Applied in changeset 6d6a726eb453573a34b476f1240c8029ff5aadef.
#4 Updated by Mark Abraham about 2 years ago
- Status changed from Resolved to Closed
Added option -water tips3p to pdb2gmx.
Fixes #2272
Change-Id: Ibfc63009767fd667df51ff10041791268351e1ca