[gmx-users] Output frames within a defined distance range

Nash, Anthony a.nash at ucl.ac.uk
Thu Aug 6 09:56:03 CEST 2015

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
zinc ion. 

Many thanks

More information about the gromacs.org_gmx-users mailing list