[gmx-users] problem on using g_disre of gmx3.2.1

F.Hao at chem.rug.nl F.Hao at chem.rug.nl
Tue Jun 1 17:06:03 CEST 2004

Hi, all:
    I try to use g_disre in gmx3.2.1 to calculate violation of dis. res. 
in the structure. All the protons were added explicitly before the 
simulation, experimental dis. res. were used in the simulation. And it
seems fine during the simulation. Later I want to use g_disre to get the 
violations of of dis. res. but it gave 
"Reading frame       0 time    0.000   Fatal error: tpr inconsistency. 
ndr = 362, label = 363"
    I wonder whether somebody else notice it before or I did something 
wrong? Any hint will be sincerely appreciated! 

Best regards

Yours sincerely

Hao Fan :-)

Drs. Hao Fan                            email F.Hao at chem.rug.nl
Lab. of Biophysical Chemistry
University of Groningen
Nijenborgh 4                            9747 AG GRONINGEN
The Netherlands

Please don't call me on Friday due to the group meeting.

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