Re: [AMBER] sander and ptraj problem

From: manikanthan bhavaraju <manikanthanbhavaraju.gmail.com>
Date: Wed, 12 May 2010 17:04:58 -0500

I have tired the simulations from the last good rst file with iwrap=1, but
in the output file I saw that iwrap is only wrapping first molecule and the
newly generated rst file still have the ****. I had generated the new rst
file by ptraj using last good .rst file and took those velocities as a
reference into the new rst file. 

-- 
Manikanthan Bhavaraju
Graduate Teaching Assistant
Dept. of Chemistry
Mississippi State University
office no : 662-325-4633
MS -39762
USA.
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Received on Wed May 12 2010 - 15:30:03 PDT
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