[gmx-users] Go-model Hamiltonian

2008-01-15 Thread eddie mendel
Greetings Gromax users! I am trying to do free energy calculations using a Go-model Hamiltonian simulation, and I was wondering if GROMACS has such capabilities. I was planning to use CHARMM but I found a problem at a server that builds the respective Go-model Hamiltonian from a pdb file

Re: [gmx-users] Go-model Hamiltonian

2008-01-15 Thread Xavier Periole
On Tue, 15 Jan 2008 08:20:05 -0600 eddie mendel [EMAIL PROTECTED] wrote: Greetings Gromax users! I am trying to do free energy calculations using a Go-model Hamiltonian simulation, and I was wondering if GROMACS has such capabilities. I was planning to use CHARMM but I found a problem at