Hi AMBER Community!
I have thoroughly appreciated the help in getting M-REMD set up!
I now have trajectory (.mcrd) files generated by 2D M-REMD using
temperature and Hamiltonian dimensions and was hoping to stitch together
trajectories based on a unique Hamiltonian/temperature combination/pairing.
I was successful in doing this for the case of 1D temperature-based REMD
using the *remdtrajtemp *keyword. On page 560 in the AMBER16 manual (
http://ambermd.org/doc12/Amber16.pdf), there is also described a *remdtrajidx
*keyword for the Hamiltonian dimension I presume.
I was wondering if it would be possible use the two keywords in tandem to
extract a Hamiltonian/temperature pairing?
Thanks so much for the help!
Jason
--
Jason Wang
Stanford University, Class of 2018
jwang198.stanford.edu
ᐧ
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Received on Wed Apr 25 2018 - 03:00:02 PDT
