[gmx-users] partial charge on protein
hazizian at razi.tums.ac.ir
Mon Apr 6 21:07:55 CEST 2009
according to my problem about non-neglible magnitude partial charge on
protein, I did not use -missing option with pdb2gmx my command is:
pdb2gmx -ignh -f .pdb -o .pdb -water spce
what should I do to neutralize this charge?
Thank you in advance.
Tehran University of Medical Sciences
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