Re: Gromacs to Charmm FF Format Conversion -Reg

From: Mani Kandan (manikandand5110_at_gmail.com)
Date: Tue Feb 12 2019 - 10:40:15 CST

Thanks for the information. But I am not comfortable with gro top files,
thats why I want to convert it to charmm format

On Tue, Feb 12, 2019, 10:04 PM Vermaas, Joshua <Joshua.Vermaas_at_nrel.gov>
wrote:

> Any particular reason you can't just use the native GROMACS inputs?
> http://www.ks.uiuc.edu/Research/namd/2.13/ug/node14.html The only thing
> you'll need to do is copy the #include'd files into the grotopfile, since
> NAMD won't follow include statments.
>
> -Josh
>
>
>
> On 2019-02-12 08:47:38-07:00 owner-namd-l_at_ks.uiuc.edu wrote:
>
>
> ---------- 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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>

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