Hi Justin,
Cheers, that was perfect.
In case anyone comes across this in months from now, I simply performed a
gmx_d distance command which generates a .xvg of [timestamp] [distance].
This is then used as the input -drop for gmx_d trjconv. Combining with
-dropunder [mindistance] and -dropover [ma
On 8/6/15 3:56 AM, Nash, Anthony wrote:
Hi all,
I¹m hoping to avoid putting together a simple script. Is there an option
in Gromacs 5+ to only output frames from a trajectory if a certain
criteria is meet? In this case, I only want the frames from a trajectory
if the carbon-alpha of a particul
To: gmx-us...@gromacs.org
Subject: [gmx-users] Output frames within a defined distance range
Hi all,
I¹m hoping to avoid putting together a simple script. Is there an option
in Gromacs 5+ to only output frames from a trajectory if a certain
criteria is meet? In this case, I only want the frames
Hi all,
I¹m hoping to avoid putting together a simple script. Is there an option
in Gromacs 5+ to only output frames from a trajectory if a certain
criteria is meet? In this case, I only want the frames from a trajectory
if the carbon-alpha of a particular GLY residue is within 0.8 - 1 nm of a
zin
