Re: [gmx-users] eneconv error

chetana baliga wrote: Dear users, I am getting extra frames upon concatenating my edr files. I am using a time step of 0.5 ps . Each edr file , of 2 ns, has exactly 4000 frames, but upon concatenating files of total of 10 ns, I am getting 20004 frames. But, my xtc files upon concatenation give m

[gmx-users] eneconv error

Could be because single precision times are not exact and if you are using grompp restarts and not tpbconv then your first file might end at time 200.0001 ps and the next one starts at 200ps or some variation on this. One option to get around this for now is to first eneconv your files so t

Re: [gmx-users] eneconv error

Sent: Tuesday, January 30, 2007 2:35:46 PM Subject: [gmx-users] eneconv error Dear users, I am getting extra frames upon concatenating my edr files. I am using a time step of 0.5 ps . Each edr file , of 2 ns, has exactly 4000 frames, but upon concatenating files of total of 10 ns, I am getting

[gmx-users] eneconv error

Dear users, I am getting extra frames upon concatenating my edr files. I am using a time step of 0.5 ps . Each edr file , of 2 ns, has exactly 4000 frames, but upon concatenating files of total of 10 ns, I am getting 20004 frames. But, my xtc files upon concatenation give me the required number o