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AMBER Archive (2007)Subject: AMBER: calcium parameters
From: Mattia Mori - CERM (mori_at_cerm.unifi.it)
Dear Amber users, I'm new about amber. I'm using amber 8 and I would like to simulate the behaviour of a calcium binding protein during relaxation. when I load pdb in tleap, I get this error message: Creating new UNIT for residue: sequence: 183 Created a new atom named: CA within residue: .R< 183> Creating new UNIT for residue: sequence: 184 Created a new atom named: CA within residue: .R< 184> Creating new UNIT for residue: sequence: 185 Created a new atom named: CA within residue: .R< 185> Creating new UNIT for residue: sequence: 186 Created a new atom named: CA within residue: .R< 186>I'm using ff99 force field. when I check my unit the response is FATAL the atom does not have a type. How can I assign the atom type for calcium? Thank in advance for the help, best regards 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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