[gmx-users] system couldn't be run

Morteza Khabiri khabiri at greentech.cz
Fri Sep 12 14:07:17 CEST 2008


I make the solution box of organic solvent. It is homeogen and mixed
It also has a minimum energy. I put one protein in this solution. Before
put the protein in the solution I minimimized it also. Now I mixed 2
system which each of them are minimized. After put the protein in the
solution I try first to minimized it then run it but unfortunately it
crashed. I did not work at all. I also tried to run the system without
minimization but it also did not work at all. I changed mdp file (
eg,remove center of mass motion or decrease the temprature,..) but non of
them did work.

Thats very nice of you if you guid me what should i do?



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