Re: timestep in namd

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Thu Mar 16 2006 - 13:32:22 CST

Your timestep should be 2 iff you're using rigidBonds; otherwise it
needs to be 1.
Peter

Himanshu Khandelia wrote:

>timestep = 2. that is 2 femtoseconds
>
>===================================================
>Himanshu Khandelia
>
>Doctoral Candidate,
>Kaznessis Research,
>Department of Chemical Engineering and Materials Science,
>University of Minnesota
>
>Mailing Address:
>
>499, Walter Library,
>117, Pleasant St. SE,
>Minneapolis, MN 55455
>
>Phone(o): 612-624-4945
>===================================================
>
>
>On Thu, 16 Mar 2006, snoze pa wrote:
>
>
>
>>Dear NAMD users,
>> I have a question related to timestep. For Free MD what time step I should
>>use. timestep=1 or timestep=2
>>thanks
>>snoze
>>
>>
>>

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