Dear all,
I am attempting to use sander for minimization of structures, but the
following error occurs:
getting new box info from bottom of inpcrd
| INFO: Old style inpcrd file read
| peek_ewald_inpcrd: Box info not found in inpcrd
I am wondering if there is a way to manually add this information to the
end of the inpcrd file if I know the dimensions of my solvent box. I ask if
there is a manual solution because I did not use leap to add solvent;
instead, I used the MMTSB toolset.
Thanks,
Brandon
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Received on Thu Jun 21 2012 - 06:00:02 PDT
