[gmx-users] methanol simulation

Justin A. Lemkul jalemkul at vt.edu
Thu Jan 6 21:20:41 CET 2011

mustafa bilsel wrote:
> Dear Mark,
> so, what should I do?

In the future, it would be helpful to reply to the original thread instead of 
starting a new one.

You said you added a line "SOL 291" to your [molecules] directive.  That would 
imply that you named your methanol [moleculetype] SOL.  If this is not the case, 
then you're providing an invalid name, and hence the fatal error.


> mustafa


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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