Feature #2272: pdb2gmx does not accept tips3p as a water model - GROMACS - GROMACS development

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

Assignee:

David van der Spoel

Category:

Target version:

2018

Difficulty:

simple

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 (davidvanderspoel@gmail.com)
Change-Id: gromacs~master~Ibfc63009767fd667df51ff10041791268351e1ca
Gerrit URL: https://gerrit.gromacs.org/7039