Hi Amber users,
When I try to go to MM/PBSA calculation with a small molecule, As far as I understand, in order to get an appropriate energy parameter for the small molecule, I need to use antechamber. Right? In this case, Tripos-Mol2 file is an appropriate input format to antechamber, isn't it? If so, does antechamber use atom definitions in Tripos-Mol2 file? In other words, energy parameters generated by antechamber depend on atom definitions in Tripos-Mol2 file?
Thank you in advance,
Masaki Tomimoto
Sr. Scientist
Structural GenomiX Inc.
Received on Wed Sep 25 2002 - 14:37:55 PDT
