Re: force-field for ATP

Date: Tue Apr 28 2009 - 19:41:13 CDT

Roman Petrenko <> a écrit :
> Dear all,
> is it possible to simulate ATP in namd. I mean, is there a force-field
> parameterized for ATP simulations?

ATP along with NAD+, NADH, ADP, PPI and related analogs are available
in a stream file called toppar_all27_na_nad_ppi.str in recent CHARMM
distributions. It is compatible with all22 protein and all27 nucleic
acid force fields. You can obtain force field files from Alex
MacKerell website:

Thomas Gaillard
BioMaPS Institute
Rutgers University

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:52:41 CST