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.
-Justin
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
--
==================================================
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
[email protected] | (410) 706-7441
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