Hi all,
I have a topology file for a solvated complex and I want to strip off the solvent. The protein residues are those from 1-226, but I don’t know how to use negation in terminal. (I want to do something like !(:1-226) ).
ante-MMPBSA.py -p prmtop -c complex.top -r receptor.top -l ligand.top -s !(:1-226)
any easy workarounds?
thanks
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Received on Mon Oct 26 2015 - 15:30:03 PDT
