Hello Users
I am using gromacs 3.3 with g43a1 force field.
I ran a minimization using some positional restraints.
For that i used Define = -dposre in the input file but inspite of that on
checking the log file for the output i found that there is no energy term
corresponding to the positional restraints. also i can see much deviation in
the protein structure also.
I have checked all the required files but did not find any problem in them.
i am having a proper posre.itp file in the directory
What else should i check to rectify this problem?
waiting for an early reply
Thanks
With regards
Aneesh cna
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