Dear amber user,
I'm trying to apply MM_PBSA to calculate the binding energy of my
system composed by two protein.
I'm following the advanced tutorial n°3 but when I run mm_pbsa.pl for
binding energy calculation I get this error:
bad atom type: IP
Looking at the amberarchive, it seems that this problem is related to
the Na+ ions added to equilibrate the charge in .prmtop file.
How can I solve this problem without modifying mdread.f file with LCPO
parameters? Or, anyway, Where I have to modify this file?
Thanks
mat
--
**-**-**-**-**-**-**-**-**-**-**-**-**
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
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Received on Sun May 11 2008 - 06:07:26 PDT
