[gmx-users] Extending job error

Abid Channa abid_channa04 at yahoo.com
Tue Jan 19 06:04:39 CET 2016


Hi gromacs users,
I am running 50 ns seconds MD  job in 5 differents parts like wise 10, 10 ns. How can I set enviroment or command through which I can run in single command. I have used gmx convert-tpr command but it requires extend command after every 10 ns time. Is there any option in gromacs that I can run 50 ns job which creates diferent trajectories after every 10, 10 ns run in single command.
Thanks in advance.
Regards, 

Abid Ali Channa,
Junior Research Fellow,
Lab No.  P-133, Computational Chemistry Unit,
 Dr .Panjwani Center for Molecular Medicine and Drug Research (PCMD),
 International Center for Chemical and Biological Sciences  (ICCBS),
 University of Karachi-75270.Karachi-Pakistan.UAN # (92-21) 111-222-292 Ext. (309)
             Cell # +923013553051.
http://www.iccs.edu/


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