problem with freezing group and temperature coupling
I am getting problems in running the GROMACS 4.0.5 with freezing option.
I would like to freeze all water molecules present after 18A (for my current input attached ed with this email) from the center of the box. I have created two groups first one is all waters present after 18 A, and the second one all but not the index of first selected.
I have separated the temperature coupling for non-freezing and freezing groups and submitted for a 3ns mdrun. In the log file it shows me the nrdf value for both non freezing and freezing groups as zero.
I have not applied pressure coupling.
Herewith i am attaching all my input files. Please help me to solve the problem.
#2 Updated by srinivasa rao over 10 years ago
Created an attachment (id=431)
in this url there is link with the name gromacs files, all files can be downloades from here.
I have put all files in a tar file, and it is available on my web i have given the link to those files here. Sorry for the delay.