[gmx-users] generating gro files using pdb2gmx without adding hydrogen
biobee at rediffmail.com
Thu May 19 09:06:39 CEST 2005
I have to run MD simulation for a protein under certain pH and i have added the hydrogens to the pdb file accordingly using BUILDER module in InsightII.
Now i have the pdb file with required hydrogens added and i want to generate a gro file but i dont want pdb2gmx to add further hydrogens to my pdb file.
What are my options?
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