Dear Amber community,
I am trying to use AMBER's MMPBSA capability. I have a NAMD dcd and would
like to use it in calculating receptor-ligand binding free energy.
To do that, I installed AmberTools17 and was trying to call in 'chamber'
program to convert CHARMM topologies to Amber topology files. I am unable
to call chamber from terminal in my Mac OS. Other tools like pdb4amber etc.
are there from terminal. Does chamber is not present in $AMBERHOME?
Help me find and run the program successfully. Also let me know if MMPBSA
reads in dcd files with no issues.
Thanks,
Jubilant
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Received on Fri Oct 06 2017 - 15:30:02 PDT
