[gmx-users] Disappear my solution

[Morteza Khabiri]

Dear Justin

Thanks for your helps.


--Did you restart your run after that short time?  Did you change the
xtc-grps
option in your .mdp file?


no. I did not change any option and also not restart my run.


--That would be pretty strange.  If they were there, then disappeared,
maybe they were not written to the .xtc.

How it is possible. they were written till 124 frame and then suddenly the
system decided to did not write hexan on xtc.



---If the frame number is not changing, it is done loading the trajectory,
or it has encountered a problem.  Are there any error messages in the VMD
console? I'm thinking that you've not written the hexane coordinates to
the .xtc file, and now VMD is failing because the number of coordinates in
the trajectory no longer corresponds to the number of atoms in the
structure file.


Yes. after disappear, the vmd console show an error. it is:

Error reading timestep, file does not match format.



As I said everything is ok. mdp file is ok also when i saw the energy file
, it is ok. I could not find the problem.


thats very nice of you if you could help me more.

Yours

Morteza