From: jose correa (corrjose_at_gmail.com)
Date: Fri Jun 08 2012 - 20:23:46 CDT
Dear all
We are trying to achieve MD simulations on GPCR (in membrane) couple to
ligand, however, we have this error: *ERROR: Constraint failure in RATTLE
algorithm for atom*
The atom (one) that yield this error belong to ligand, do you have any
suggestions?.
Best wishes
José
-- Ph.D. JOSE CORREA BASURTO. Professor of Medicinal Chemistry and molecular modeling, Escuela Superior de Medicina, Instituto Politécnico Nacional, México. Plan de San Luis Y diaz Mirón S/N, Col. Casco de Santo Tomas, Mexico city, México. CP: 11340. Tel/Fax; (+5255) 57296000 Ext 62747 and 62767 e:mail: josecorreabasurto_at_hotmail.com or jcorreab_at_ipn.mx, corrjose_at_gmail.com website: http://farmacologiacomputacional.blogspot.com/
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