Dear AMBER community,
does anyone know how to specify COMREC, COMPRI, LIGMAP etc. for a
decomposition mm-pbsa calculation for receptor only? (from receptor
trajectory) I filled in only REC* fields (COM and LIG either leaving blank
or putting 0-0) and the error message was #RECMAP + #LIGMAP != COMPRI
Could you please help?
Thanks.
Regards,
Martin
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Martin Lepsik, PhD student Phone: +420/2/20183-540, Fax:
+420/2/20183-292
Dept. of Theor Chem & Center for Complex molecular Systems and Biomolecules
Institute of Organic Chemistry and Biochemistry (IOCB)
Flemingovo nam 2,
Czech Academy of Sciences,
166 10, Prague 6,
Czech Rep.
Received on Wed Jan 29 2003 - 05:12:34 PST
