[gmx-users] question

Justin Lemkul jalemkul at vt.edu
Mon Sep 28 22:21:06 CEST 2015



On 9/28/15 3:10 PM, Andrew Bostick wrote:
> Dear Justin,
>
> Thanks for your quick answer.
>
> I want to know about 704, 705 in following line:
>
> Double sids (704, 705) for atom 2525
>
> Double sids (704, 705) for atom 2526
> Double sids (704, 705) for atom 2527
> Double sids (704, 705) for atom 2528
> Double sids (704, 705) for atom 2529
> Double sids (704, 705) for atom 2530
> Double sids (704, 705) for atom 2531
>

Something about constraint blocks.  It's nothing ultimately useful to the user.

> Is this problem related to itp file obtained from antechamber?
>

Possibly.

> Please guide me how to resolve this problem?
>

There's nothing anyone can do without you providing your coordinate file and all 
relevant topologies to a file sharing service and providing a URL.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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