[gmx-users] Re: gmx-users digest, Vol 1 #440 - 10 msgs
dikov at imbg.org.ua
Thu Oct 17 10:56:37 CEST 2002
On Thursday 17 October 2002 10:17, gmx-users-request at gromacs.org wrote:
> because output.gro doesn't have high precision. One doesn't need
> velocities while doing minimization.
> In any case, I suggest you should use double precision to get really good
> minimum structure.
Ok, thanks. But in case on MD high precision in not necessary and the use of
ordinary output would be sufficient. Am I right?
Ph.D. Student Dmitry Kovalsky
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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