Mark.Abraham at anu.edu.au
Mon Dec 21 23:59:37 CET 2009
Carsten Kutzner wrote:
> On Dec 21, 2009, at 5:26 PM, <david.lisgarten at canterbury.ac.uk> <david.lisgarten at canterbury.ac.uk> wrote:
>> Dear Users,
>> Re Introductory tutorial;
>> Trying to run the following:
>> editconf -f out.gro -o fws_ctr.gro -center x/2 y/2 z/2
> You have to give real coordinates for the center, not
> in terms of x, y, z. The coordinates are given e.g. at
> the end of the gro file.
The dimensions of the box are given at the end of the .gro file.
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