[gmx-users] Go-model Hamiltonian

[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

this is the website in case you are interested: 
http://mmtsb.scripps.edu/webservices/gomodel.html
 

Please let me know any suggestions you may have. My protein has around 
500 residues and hence I think a Go-model is the only viable
option I have.


Thanks for the advice beforehand



Eduardo Mendez
PhD Candidate and so forth
Department of Biochemistry
University of Saskatchewan,