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,
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