[gmx-users] grompp Warning: atom name 20 in p2.top and p2.pdb does not match

[Justin Lemkul]

On 9/22/13 9:32 PM, Nilesh Dhumal wrote:
> Thanks.
>
> 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

-- 
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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

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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