To whom it may concern:
I am using antechamber to generate a .prepin file for a non-standard residue. I have a mol2 file for residue and also have a set of resp charges from NWChem calculation. My question is how to load resp charge file into antechamber calculation. I tried " -c rc -cf filename", but it doesn't work. I doubt the format of my charge file is not correct. How does charge file looks likes? In my charge file, I have two columns, one with atom ID and another with resp charge. Can this charge file be loaded into antechamber?
Thanks
Xuelin Wang
Dept. of Structural Biology
St Jude Children's research hospital
Memphis, TN.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Oct 25 2006 - 06:07:26 PDT
