[gmx-users] How to install a new force-field?

Justin Lemkul jalemkul at vt.edu
Mon Dec 24 19:41:37 CET 2018

On 12/23/18 1:15 PM, ZHANG Cheng wrote:
> Hi Justin,
> I can use the new force field if I put it under the working directory.
> You also mentioned that I can put it under $GMXLIB. However, I could not find it when the ff is put at
> /home/lanselibai/Cheng/gromacs-2018.1/build/src/gromacs/gmxlib/charmm36-nov2018.ff

Modifying files in the source code has no effect.

> So what is the directory of $GMXLIB?




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


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