Re: [gmx-users] How to make a gro water model from a a99SB-disp force field?

2019-01-11 Thread Justin Lemkul
On 1/11/19 8:12 AM, ZHANG Cheng wrote: I got the a99SBdisp force field with a tip4pd.itp water model. How can I convert it to a tip4pd.gro file? I need this water gro file for "gmx solvate". You can use the normal tip4p.gro that is provided already. After minimization/equilibration, the

[gmx-users] How to make a gro water model from a a99SB-disp force field?

2019-01-11 Thread ZHANG Cheng
I got the a99SBdisp force field with a tip4pd.itp water model. How can I convert it to a tip4pd.gro file? I need this water gro file for "gmx solvate". Thank you! -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before