[gmx-users] Are the D-CMAP terms present in the last release of CHARMM force field for GROMACS (charmm36-nov2018.ff.tgz)?

Justin Lemkul jalemkul at vt.edu
Wed Mar 6 03:11:28 CET 2019

On 3/5/19 3:33 PM, ABEL Stephane wrote:
> Dear all,
> I want to performs some MD simulations of systems with a protein model with D-AA and I would like to have the confirmation that the last release of the CHARMM parameters for GROMACS (i.e. charmm36-nov2018.ff.tgz) contains the D-CMAP terms listed in the ./stream/toppar_all36_prot_c36m_d_aminoacids.str file in the original toppar_c36_jul18 archive available in the MacKerell's website ?

Yes. You can grep for the relevant atom types and see that they're there.



Justin A. Lemkul, Ph.D.
Assistant Professor
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Virginia Tech Department of Biochemistry
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