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
**************************************************
RUN TYPE: Afm
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
******************************************************************************************
Sincerely,
M. N. Manoj
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
