[gmx-users] NMA problem (again and again!)
rpa at mochiron.org
Tue Feb 21 06:22:07 CET 2006
David van der Spoel wrote:
> fabrizio.mancinelli at unina2.it wrote:
>> Hello all,
>> I've got 2 more question about normal modes analysis.
>> 1) at the end of the minimization step, I got a value of about e-04
>> for Fmax. But, when the mdrun(nm) step starts, it says that Fmax is
>> about e+02. What could have been happened?
> Did you use the trr as input for the coordinates in the NM?
I also have the same problem even when using the .trr file.
The precision for the coordinates in the .tpr input file seems correct
Fabriziio, did you find a solution?
Or is this a bug in 3.3 ? I haven't tried older versions...
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