[gmx-users] Re: gmx-users digest, Vol 1 #1313 - 14 msgs

Dmitry Kovalsky 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?
> Ilya

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)??

Sincerely yours,

Ph.D. Student Dmytro Kovalskyy
Institute of Molecular Biology & Genetics
150 Akad. Zabolotnogo Street,
Kiev-143, 03143

E-mail: dikov at imbg.org.ua
Fax:  +380 (44) 266-0759
Tel.: +380 (44) 266-5589

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