[gmx-users] grompp erro
jalemkul at vt.edu
Sun Jan 19 21:47:46 CET 2014
On 1/19/14, 3:42 PM, Albert wrote:
> On 01/19/2014 06:07 PM, Justin Lemkul wrote:
>> That still doesn't provide anything more useful than before. Please answer the
>> questions I posed in my last message. The essential information is on line
>> 23560 of the problematic topology.
> Here is the line:
> [ angles ]
> ; ai aj ak funct c0 c1 c2 c3
> 2 1 3 5
> 2 1 4 5
> 3 1 4 5 (<---line 23560)
OK, now please provide the rest of the information I asked for in my other email:
"What are those atoms and what are their types?"
Only you know what your topology is. Please make it easy and expedient to help
us to help you!
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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