[gmx-users] regarding the positional restraints

aneesh chandran aneeshcna at yahoo.co.in
Tue Jul 24 07:35:44 CEST 2007

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


With regards 
Aneesh cna 

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