RE: Gromacs to Charmm FF Format Conversion -Reg

From: Lennart Nilsson (Lennart.Nilsson_at_ki.se)
Date: Tue Feb 12 2019 - 09:40:18 CST

Since GROMACS does not have a force field of its own, I believe that all force fields in GROMACS do exist in their own native formats (AMBER; CHARMM; OPLS; ..) and these can often be read directly by other programs (e.g, NAMD reads CHARMM FF files directly).

Best wishes,
Lennart Nilsson

From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf Of Roessler, Bryan C
Sent: den 12 februari 2019 16:23
To: namd-l_at_ks.uiuc.edu; Mani Kandan <manikandand5110_at_gmail.com>
Subject: Re: namd-l: Gromacs to Charmm FF Format Conversion -Reg

You can play with the ParmEd program, but I have no personal experience using it: https://github.com/ParmEd/ParmEd

If you are trying to convert a standard FF, the CHARMM FF's are also available in the GROMACS format here: http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs

________________________________
From: owner-namd-l_at_ks.uiuc.edu<mailto:owner-namd-l_at_ks.uiuc.edu> <owner-namd-l_at_ks.uiuc.edu<mailto:owner-namd-l_at_ks.uiuc.edu>> on behalf of Mani Kandan <manikandand5110_at_gmail.com<mailto:manikandand5110_at_gmail.com>>
Sent: Tuesday, February 12, 2019 8:12:40 AM
To: namd-l_at_ks.uiuc.edu<mailto:namd-l_at_ks.uiuc.edu>
Subject: namd-l: Gromacs to Charmm FF Format Conversion -Reg

Hi all,

             Is any tool available to convert gromacs force field into charmm format force field? Kindly let me know if any tool is available.

Thanks

With Regards
MANIKANDAN D

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