[gmx-users] output in gromos format

grivet grivet at cnrs-orleans.fr
Mon Apr 12 16:46:33 CEST 2010

Hi everybody,

In order to use an old set of analysis programs, I would like mdrun to
ouput my trajectory in gromos-96 format. Is this possible ?

I understand that I could convert the .xtc file with trjconv. I need
rather high precision, but I am uncertain about the meaning of the
parameter xtc_precision; what does it mean?

Another quite unrelated question; most examples I have looked at use
rvdw = 1.0, regardless of the force field; however, the manual states
that, with GROMOS force fields, one should use rvdw >= 1.4; which is
correct ?

Thank you in advance for your help
JP Grivet

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