[gmx-users] partial charge on protein

[Homa Azizian]

Hi 
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
www.tums.ac.ir


-- 
This message has been scanned for viruses and
dangerous content by MailScanner, and is
believed to be clean.