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Questions related from Jan Majta
I'm working on ethanolamine hydration energy simulation and it's really hard to find experimental value. Has anybody ever seen/know it and can help me?
10 October 2013 6,219 3 View
I'm very new to CHARMM parameteris in GROMACS. While reading topology files I saw a "multiplicity" section that gives several different params for the same dihedral angle. I'd like to know what...
08 August 2013 5,100 1 View
With my friends, I am going to write a script for GROMACS to make running simulations automatic. It will take a pdb file as an input and ask some questions. Elese will be done automatically. I...
05 May 2013 1,864 16 View
I have a problem - I do not know how to create topology and .gro for nonane. pdb2gmx says that my residue name is not known, and it's right because of course it's not a residue. Anyone know a...
02 February 2013 6,458 1 View
http://pridb.gdcb.iastate.edu/RPISeq/
02 February 2013 8,144 0 View
