hi ,
After giving this command for running sander, following error is coming.
$ sander O -i polyAT_vac_init_min.in -o polyAT_vac_init_min.out -p
polyAT_vac.prmtop -c polyAT_vac.inpcrd -r polyAT_vac_init_min.rst
mdfil: Error unknown flag: O
usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt
[-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip
rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo
-radii radii -y inptraj]
Consult the manual for additional options.
So how to resolve this problem.
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Received on Thu Feb 18 2010 - 06:00:05 PST
