Oops ! am sorry.<br>but i'm sure i had done this once earlier with some flag, without tinkering with the mdp file. i vaguely remember doing that. shall verify and get back to you.<br><br>sorry afonso, and thanks for pointing out, mark ! :)
<br><br>regards,<br>Kota.<br><br><div><span class="gmail_quote">On 5/18/07, <b class="gmail_sendername">Mark Abraham</b> <<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Pradeep Kota wrote:<br>> Hi Afonso,<br>><br>> An easier way would be to use the -time flag with grompp. it would<br>> basically set the first time frame for the new tpr to what you give it.<br>> jus play around with it and i'm sure you can get what you wanted. dont
<br>> forget to include the -np flag of course. :)<br><br>No, that's not what grompp -time is for. See the man page. If you want<br>to pretend it's the same simulation, by having the step numbering start<br>from wherever you're up to, then there is an .mdp flag you can set. See
<br>section 7.3 of the manual.<br><br>Mark<br>_______________________________________________<br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://www.gromacs.org/mailman/listinfo/gmx-users">
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