[gmx-users] Atomtype opls_236 not found

Justin Lemkul jalemkul at vt.edu
Mon Feb 4 15:46:08 CET 2019

On 2/1/19 11:27 AM, Anjali Patel wrote:
> @ Justin Lemkul
> Thankyou so much for your reply. Can you Give the suggestions or way that
> how i can use one forcefield to describe all the components such as CNT and
> Drug molecule?

If you want to stick with OPLS, try LigParGen.



Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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