RE: Gromacs to Charmm FF Format Conversion -Reg

From: Vermaas, Joshua (
Date: Tue Feb 12 2019 - 10:34:53 CST

Any particular reason you can't just use the native GROMACS inputs? The only thing you'll need to do is copy the #include'd files into the grotopfile, since NAMD won't follow include statments.


On 2019-02-12 08:47:38-07:00 wrote:

---------- Forwarded message ---------
From: Mani Kandan <<>>
Date: Tue, Feb 12, 2019, 9:13 PM
Subject: Re: namd-l: Gromacs to Charmm FF Format Conversion -Reg
To: Lennart Nilsson <<>>

Yes, but I want the martini coarse grained force field v2.2. That was available in the gromacs format, I need an tool to convert into charmm format to use in namd.

On Tue, Feb 12, 2019, 9:10 PM Lennart Nilsson <<>> wrote:
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:<> [<>] On Behalf Of Roessler, Bryan C
Sent: den 12 februari 2019 16:23
To:<>; Mani Kandan <<>>
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:

If you are trying to convert a standard FF, the CHARMM FF's are also available in the GROMACS format here:

From:<> <<>> on behalf of Mani Kandan <<>>
Sent: Tuesday, February 12, 2019 8:12:40 AM
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.


With Regards

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