[gmx-users] Re: groups to write to trr

Vitaly Chaban chaban at univer.kharkov.ua
Sun Aug 24 16:05:00 CEST 2008

> The risk you take with specifying trr-grps in an .mdp file

In the .mdp you can specify  to write no TRR coordinates at all and it
will be the same. :)

Really huge files are obtained if to write everything to .trr. It's
almost impossible to have several runs at once because of disk space
overflow. Now, we are limited not by processor time but by disk space.

Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq., 4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban

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