[gmx-users] Extending NPT run

Xu Dong Huang xudongh at eden.rutgers.edu
Mon Jan 28 03:49:29 CET 2013


Dear advanced users,

I'm trying determine the procedure for extending NPT run (i.e I realized the NPT run I did wasn't long enough, so I wish to run it for another million steps. ) what should I do to set up the run again continuing with the previous data? 


Thanks,

Xu Dong Huang
Chemical & Biochemical Engineering
Rutgers School of Engineering 
xudongh at eden.rutgers.edu 




More information about the gromacs.org_gmx-users mailing list