Dear List,
I am trying to run an MD on a protein solvated in guanidinium Cl solution. Would you please let me know where I can find a file like 8Murea.off for guanidinium Cl with a concentration of ~ 3 M and use it to solvate my protein in the simulation box. Or you may suggest how I can make it. I found gromacs gnd.itp, gnd3M.gro and gnd5M.gro files but I couldn't convert them to amber top and structure files. Looks like parmed hasn't been properly configured on my system.
I will appreciate your suggestions.
Thanks,
Siavoush
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Received on Sat Jan 13 2024 - 09:00:02 PST
