[gmx-users] hydrogen atom parameter definition for charmm 36

Nikhil Maroli scinikhil at gmail.com
Sat Apr 9 17:44:37 CEST 2016

i am following this method 

so when i run the script it has to  generate gro file for all the 1000 
pdb's (100ns MD) , inserting *.itp and *.prm files will take lots of time 
for each steps ;) ,i dont have knowledge in perl or python to make a 
script for this .

could you please suggest me any method for this ?!

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