[gmx-users] Converting Charmm to gmx format using cgenff

[Justin Lemkul]

On 2/19/20 10:45 AM, Maryam wrote:
> Dear gmx users,
>
> I am trying to generate topology for small ligands using cgenff . I will
> like to confirm if the Charmm to gmx script available on the Mackerell
> website is compatible with all versions of charmm forcefield or can only
> be used with Charm36 forcefield. P.S. I have tried it with charm22* and
> did not get any error, I will just like to double check.  Looking
> forward to your reply.
>

The conversion script is for CGenFF stream files produced by the online 
CGenFF server. It is not associated with any CHARMM force field version.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
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Virginia Tech Department of Biochemistry
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jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

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