[gmx-users] how to increase the number of
kotanmd at gmail.com
Fri May 18 05:33:24 CEST 2007
Oops ! am sorry.
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
sorry afonso, and thanks for pointing out, mark ! :)
On 5/18/07, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
> Pradeep Kota wrote:
> > Hi Afonso,
> > An easier way would be to use the -time flag with grompp. it would
> > basically set the first time frame for the new tpr to what you give it.
> > jus play around with it and i'm sure you can get what you wanted. dont
> > forget to include the -np flag of course. :)
> No, that's not what grompp -time is for. See the man page. If you want
> to pretend it's the same simulation, by having the step numbering start
> from wherever you're up to, then there is an .mdp flag you can set. See
> section 7.3 of the manual.
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