On 7/18/13 6:52 AM, Rasoul Nasiri wrote:
Hello all,
I'm trying to know how the surface area of a nano-drop changes during the
evaporation in the vacuum.
When I filter the trajectory of non-evaporated molecules by trjconv and use
g_sas for calculation of their surface, it usually crash (I'm using version
of 4.5.5).
What's the error message? What's your command?
Is there still this issue in the 4.6.*? How it can be resolved?
Have you tried version 4.6? That's the quickest way to know. If there are
still problems, you'll need to provide more information.
-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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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