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Re: Reading DCD trajectory using MPI CHARMM
shane yue
#38119
11/01/20
08:45 PM
Joined:
Sep 2003
Posts: 8,532
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39 03 48 N, 77 06 54 W
rmv
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rmv
Forum Member
Joined:
Sep 2003
Posts: 8,532
Likes: 2
39 03 48 N, 77 06 54 W
I recently used TRAJ READ in a loop, with a c43b1 MPI executable using 16 cores so that I could do an ENERGY call, then a series of INTE commands to compute peptide:membrane interactions.
Rick Venable
computational chemist
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shane yue
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Reading DCD trajectory using MPI CHARMM
shane yue
11/01/20
04:34 PM
Re: Reading DCD trajectory using MPI CHARMM
lennart
11/01/20
05:20 PM
Re: Reading DCD trajectory using MPI CHARMM
shane yue
11/01/20
05:32 PM
Re: Reading DCD trajectory using MPI CHARMM
rmv
11/01/20
05:26 PM
Re: Reading DCD trajectory using MPI CHARMM
shane yue
11/01/20
08:24 PM
Re: Reading DCD trajectory using MPI CHARMM
lennart
11/02/20
10:20 AM
Re: Reading DCD trajectory using MPI CHARMM
shane yue
11/02/20
03:09 PM
Re: Reading DCD trajectory using MPI CHARMM
lennart
11/02/20
08:32 PM
Re: Reading DCD trajectory using MPI CHARMM
shane yue
11/02/20
09:24 PM
Re: Reading DCD trajectory using MPI CHARMM
rmv
11/01/20
08:45 PM
Re: Reading DCD trajectory using MPI CHARMM
shane yue
11/01/20
09:03 PM
Moderated by
lennart
,
rmv
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