Hi,
I am trying to run a minimization for a protein-ligand complex using
sander. I produce the "prmtop" and "inpcrd" files with leap program for the
pdb file. but when I try to run the sander minimization command I get the
following line in the "min.out" as an error:
"peek_ewald_inpcrd: Box info not found in inpcrd".
Can any body help me with this error?
*The sander command I used is this:*
sander -O -i min.in -o min.out -p pl.prmtop -c pl.inpcrd -r min.rst -inf
min.mdinfo
*The "min.out" looks like this:*
--------------------------------------------------------------------------------
1. RESOURCE USE:
--------------------------------------------------------------------------------
|
Flags:
getting new box info from bottom of inpcrd
| INFO: Old style inpcrd file read
| peek_ewald_inpcrd: Box info not found in inpcrd
I really appreciate your help:)
Thanks.
Sincerely,
-Mohsen
--
Mohsen Zakeri, B.Sc.
ECE Department, Computer Engineering
University of Tehran, Tehran, Iran
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Received on Tue Jul 21 2015 - 14:30:02 PDT
