[gmx-users] grompp Warning: atom name 20 in p2.top and p2.pdb does not match
jalemkul at vt.edu
Mon Sep 23 03:34:12 CEST 2013
On 9/22/13 9:32 PM, Nilesh Dhumal wrote:
> I have total 128 EMI and 128 ETS. To find the solution I test for 2 EMI
> and 2 ETS.
> How can I define for 128 EMI and 128 ETS ?
List 128 EMI consecutively, followed by 128 ETS consecutively, and make a
[molecules] directive analogously.
Justin A. Lemkul, Ph.D.
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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