[gmx-users] afm pull rate and pull info conflict

M.N. Manoj mnmanoj at gmail.com
Tue May 8 14:43:10 CEST 2007

Dear Users,

While doing the afm pulling I have observed a difference in  the units of
pull  rate between the pull.ppa (nm/ps) and  PULL INFO (nm/ns) given in the
log output of the run. I  am using Gromacs 3.3.

Is it a typo error or real ?

Attached below is a section of my log file;

                         PULL INFO
REFERENCE TYPE: center of mass of reference group
Looking for group OXY: found group OXY: 3 elements. First: 13
Looking for group REF: found group REF: 3 elements. First: 14497
Initializing pull groups. Inv. mass of group 1: 0.020834
Initial coordinates center of mass:    1.664    1.851    1.867
Initializing reference group. Inv. mass: 0.000000
Initial coordinates center of mass:    0.000    0.000    0.000
Initial distance of group 1:    3.111

Pull rate: 5.000000e-02 nm/ns. Force constant: 5.000000e+03 kJ/(mol nm)
Pull direction:    0.535    0.595    0.600


M. N. Manoj
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