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AMBER Archive (2007)Subject: AMBER: Zinc-Histidine force field
From: Mattia Mori - CERM (mori_at_cerm.unifi.it)
Dear amber users, I'm trying to work with zinc protein but I got some problems during the parametrization with tleap. When I bound the Zn ion to the NE2 of the three histidins with the command "bond" and saveamberparm I get this error message: Could not find bond parameters for : NB - Zn Could not find angle parameters for: CV - NB - ZN Could not find angle parameters for: CR - NB - ZN ...... parameter files was not saved I think I've to built the .prep file and/or to modify the force field for my protein but I don't know how to do that. Do someone can tell me if there are some tutorials about? or where to find a reliable forcefield fo MMPs protein? thank you very much. Mattia -- **-**-**-**-**-**-**-**-**-**-**-**-** Mattia Mori, PhD Student CERM - Centro di Risonanze Magnetiche via L. Sacconi 6,, 50019 Sesto Fiorentino, FI fax (+39) 055 4573914 tel (+39) 055 4573912 www.cerm.unifi.it----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber@scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo@scripps.edu
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