chandran karunakaran wrote:
Dear GMX-users,
I am not able to run the GMX molecular dynamics simulation of proteins
in DMSO solvent. It is not accepting the DMSO solvent and gives error. I
would be happy if
GMX users help in running for solvents other than water.
Please do not append the entire digest to your messages; it confuses the
archive.
Without knowing what the error was (which program? what command did you give?
what have you done to prepare the solvent box?) there is nothing anyone can do
to help you besides suggesting this generic information:
http://www.gromacs.org/Documentation/How-tos/Non-Water_Solvation
-Justin
with thanks
*******************************+
Dr.Karunakaran Chandran +
Biophysics Department +
Medical College of Wisconsin +
Milwaukee, WI-53226 +
Resi.: 414-443-0085 +
Off : 414-456-4034 +
********************************
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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