Hi all,

I am doing a Simulation of a lipase (1CRL) in ccl4 solvent. I 
would like to know how i go about editing the options in the mdp 
file. I am preparing the mdrun using the following commands

1. pdb2gmx -f 1CRL -p crl.top -o crl.gro -n index.ndx -i crl.itp
2. editconf -f crl.gro -o crlconf -d 1 -c
3. genbox -cp crlconf -cs ccl4_box -o crlbox
4. grompp -f ccl4.mdp -o crlmpp -p crl -c crlbox -np 16

when i do the mdrun i get an error in PBC. I would like to know 
how do i set the options in the mdp file for different solvents 
and different proteins.

thanks a lot

Venky
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