As far as I know, irest = 1 is necessary for being able to using the
velocity information in the restart file. ntx = 7 is not enough.
Guanglei Cui
Dept. of Chemistry
SUNY at Stony Brook
Stony Brook, NY 11790
Dear Amber Users,
1, The ptraj problem with the familiar option can
be easily resolved using a new version of the code:
http://www.chpc.utah.edu/~cheatham/software.html
2, I was wondering what the difference is using
ntx=7 and a restart file versus ntx=7, irest=1
and a restart file?
Thank you,
Peter Varnai
Received on Thu Mar 15 2001 - 08:08:01 PST
