[gmx-users] replica analysis scripts

Andrea C. Vaiana vaiana at lanl.gov
Wed Jan 11 01:34:55 CET 2006

Hello everyone,

I'm using the replica code in version 3.3 and it is running really  
smooth. I was wondering if anyone has any analysis scripts to produce  
a time trace of the temperatures (both the instantaneous temperature  
of the system and the target temperature) visited by each replica.

On the mailing lists I found a message (Nov. 9th) by David Spoel  
saying these scripts exist but are not yet "ready for the general  
public". David, I  would be willing to test them and give feedback if  
that would help getting the scripts out sooner... I'm sure many of us  
could use them.

Thank you for your help,

Andrea C. Vaiana
Post Doctoral Research Associate
Theoretical Biology and Biophysics
Mail stop K710, T-10
Los Alamos, NM 87545
Los Alamos National Laboratory

More information about the gromacs.org_gmx-users mailing list