[gmx-users] amber forcefield

Shine A shine.a at iisertvm.ac.in
Fri Dec 28 08:24:25 CET 2012


sir,
   I am studying the dynamics of membrane protein.I want to use amber force
field.Then what changes should I make in the ffnonbonded.itp and
ffbonded.itp?Is it similar as in Justin manual?Is it necessary to convert
C6 and C12 values in lipid.itp(for gromos) to values in terms of sigma and
epsilon(for amber).



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