[gmx-users] output unimaged trajectory?

david.evans at ulsop.ac.uk david.evans at ulsop.ac.uk
Tue Jul 13 17:25:54 CEST 2004

Dear all,

Is it possible to get mdrun to output a trajectory where coordinates
are not wrapped into the periodic box?
I'm thinking of the default Amber behaviour (with IWRAP=0), if that
helps anyone understand what I mean. I'm looking for maximum
compatibility with Amber, and am also having problems getting trjconv
to produce properly imaged trajectories.

Thank you

Dave Evans
London School of Pharmacy

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