[gmx-users] Simulation in Constant pH simulation ...

Nikhil Maroli scinikhil at gmail.com
Wed Jun 15 17:49:25 CEST 2016


Hi,
Justin , thanks for your reply.
Actually, my system is cyclic peptide nanotube in water,which I made using 
charmm-gui. Protonation option availbe  in " PDB reader " but how to 
confirm the pH,based on protonation ? or is it possbile to make any 
changed after getting the out put



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