Quoting Mark Abraham <[EMAIL PROTECTED]>: > Itamar Kass wrote: > > Thank Justin, > > > > Still I am wondering about the grompp option, 'cause this is what I use > > most. You my also say I am invested in this (in CPU time manner). > > You being cryptic doesn't serve your purpose of getting useful free help > :-) > > Justin's advice was correct but incomplete, in that grompp also has a > -time option you can use. The advice on the URL he provided will answer > both this and your other questions, as would reading the GROMACS manual > and/or man page :-)
Thanks for pointing that out Mark, but I am wondering if you (or anyone else out there) might be able to clear up a little confusion I have (and hence the reason I have always used tpbconv if my .edr and .trr don't match up for whatever reason). Does the tinit option in the .mdp file override the -time argument, in the same way that gen_vel = yes would override the velocity input from the .trr? The manual and online documentation don't seem to give me a clear answer to this question. I suppose it would be just as easy to remove any reference to tinit in the .mdp, but in any case I'm curious. -Justin > > Mark > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
