I have obtained my mdcrd files using amber 10 and ambertools14.
On Sun, Oct 25, 2015 at 8:46 PM, shahab shariati <shahab.shariati.gmail.com>
wrote:
> 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 - 10:30:05 PDT
