Dear amber users,
I have done many md simulations (protein-ligand complex) to obtain binding
free energy using mmpbsa/mmgbsa methods.
I have 4 production steps and subsequently 4 mdcrd trajectory files.
I have not yet started mmpbsa/mmgbsa calculations.
Unfortunately, I forgot to use ioutfm=1 in &cntrl section of the sander
input file.
I know the advantage of the NetCDF trajectory format than mdcrd trajectory
format.
Now, I want to convert my 4 mdcrd trajectory files to 1 netcdf trajectory
file.
How to do that?
Can I view a netcdf trajectory file using VMD?
Any help will highly appreciated.
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Received on Sun Oct 25 2015 - 10:30:03 PDT
