Dear Amber users,
I would be most thankful for your help in the following problem: I'm
trying to minimize snapshots(taken with ptraj) from a MD trajectory.
However when doing so, I'm encountering the following error:
Flags: MPI
getting new box info from bottom of inpcrd
| INFO: Old style inpcrd file read
| peek_ewald_inpcrd: Box info not found in inpcrd
Needless, to say that I have tried several things to resolve this issue
among other things to manually entering the box dimensions into the
inpcrd, or to get via ptraj the inpcrd files for the various snapshots,
Non of which solved the problem.
I would like to ask whether it is possible to create a pbc box with out
solvating the system again ?.
I thank you in advance for all your help.
Arik
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Received on Thu Aug 19 2010 - 18:00:04 PDT
