AMBER Archive (2005)

Subject: Re: AMBER: MM_PBSA help, please

From: opitz_at_che.udel.edu
Date: Tue Jul 12 2005 - 09:19:05 CDT

('binary' encoding is not supported, stored as-is)

Ok, so looking at the statement below from the bugfix page:
"Alternatively, if the Unix patch(1) program is available, the diff for
each file can be put in its own file (patchfile) and patch run as follows"

I made the attached file (take the modified file and put them in a file
called patchfile). Would this file be correct to run as the patchfile?
How does the program know where to put the corrections?
Sorry to bother everyone with these basic questions, but the Unix help
book I have doesn't cover this.

Best Regards,

Armin

==============Original message text===============
On Mon, 11 Jul 2005 17:37:50 EDT Scott Pendley wrote:

Armin,

That can work but it is tedious. I would use the commands suggested
at the top of http://amber.scripps.edu/bugfixes.html
namely,
% cp file_to_be_patched file.backup
% patch -c file_to_be_patched patchfile


              else if (atype(1:1).eq.'C' .or. atype(1:1).eq.'c') then
              else if (atype(1:1).eq.'O' .or. atype(1:1).eq.'o') then
              else if (atype(1:1).eq.'N' .or. atype(1:1).eq.'n') then
              else if (atype(1:1).eq.'S' .or. atype(1:1).eq.'s') then
              else if (atype(1:1).eq.'P' .or. atype(1:1).eq.'p') then
              else if (atype(1:1).eq.'H' .or. atype(1:1).eq.'h') then
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