[gmx-users] Re: gmx-users digest, Vol 1 #1313 - 14 msgs
dikov at imbg.org.ua
Sat Mar 6 16:47:00 CET 2004
On Saturday 06 March 2004 11:10, gmx-users-request at gromacs.org wrote:
> How did you seed you initial velocities?
They were generated with Maxwell distribution initially. After the system was
subjected to a 1ns run and only after this I made an input file for a 10ns
MD. It is not a reason I guess.
Could it be a different GROMACS versions (3.0.5. vs. 3.1.4)??
Ph.D. Student Dmytro Kovalskyy
Institute of Molecular Biology & Genetics
150 Akad. Zabolotnogo Street,
E-mail: dikov at imbg.org.ua
Fax: +380 (44) 266-0759
Tel.: +380 (44) 266-5589
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