Dear Users,
I am using MMPBSA.py of amber 12. I am calculating the residue wise
decomposition for a Fe containing protein which failed due to *bad atom
type: fe.* I am following the previous suggestion by Jason and Bill Miller
as
http://archive.ambermd.org/201101/0220.html and modified that patch file
according to the fe radius, but unfortunately there is no mdread.f file in
my $AMBERHOME/src/sander therefore patching gives error:
can't find file to patch at input line 3
Perhaps you used the wrong -p or --strip option?
The text leading up to this was:
--------------------------
|--- src/sander/mdread.f 2010-04-26 08:21:23.000000000 -0400
|+++ src/sander/mdread.f 2011-01-12 16:22:07.801623229 -0500
--------------------------
File to patch: sodium_gb.patch
patching file sodium_gb.patch
Hunk #1 FAILED at 1841.
In my ..src/sander there are mdread.F90, mdread.LES.o and mdread.o files.
Please suggest me to apply a successful patch for this.
Thanks in advance
Kshatresh
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Received on Sun Mar 23 2014 - 11:00:02 PDT
