[gmx-users] Read from XTC file

Saumyak Mukherjee mukherjee.saumyak50 at gmail.com
Thu Jul 14 08:36:25 CEST 2016


Dear all,

Is there any way to read trajectory using a FORTRAN 90 code directly from
.xtc or .trr file? I am working on a trajectory for a protein with a total
run time of 1 ns with 5 fs resolution. Converting the .xtc file to .gro
format is producing a huge amount of data. So I intend to bypass the
conversion and directly read the trajectory from .xtc file. Is it possible
in FORTRAN 90?

​Thanking you,

Regards,
Saumyak Mukherjee​


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