From: Mani Kandan (manikandand5110_at_gmail.com)
Date: Tue Feb 12 2019 - 09:44:10 CST
---------- Forwarded message ---------
From: Mani Kandan <manikandand5110_at_gmail.com>
Date: Tue, Feb 12, 2019, 9:13 PM
Subject: Re: namd-l: Gromacs to Charmm FF Format Conversion -Reg
To: Lennart Nilsson <Lennart.Nilsson_at_ki.se>
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 <Lennart.Nilsson_at_ki.se> 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:* 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 <owner-namd-l_at_ks.uiuc.edu> on behalf of
> Mani Kandan <manikandand5110_at_gmail.com>
> *Sent:* Tuesday, February 12, 2019 8:12:40 AM
> *To:* 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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