[gmx-users] Atomtype opls_236 not found
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.
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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