AMBER Archive (2004)

Subject: AMBER: a question on MM-PBSA and Delphi

From: Jiayun (jxp251_at_bham.ac.uk)
Date: Wed Jun 23 2004 - 08:34:31 CDT


Dear amber users,

I am trying to use MM_PBSA in amber 7 to do calculations on protein
stability. I have generated the *.crd files but then have a problem with
Delphi. I am using Delphi version 3.0. As all the coordinate files generated
in MM-PBSA have the format like *.crd.1, *.crd.2, *.crd.3... Accordingly,
the pdb files generated from these *.crd files are like *pdb.1, *pdb.2...

But I found that Delphi could only recognize the file with "pdb" extension
at the end but not those like *.pdb.1, *.pdb.2.Could anyone tell me how to
change "mm-pbsa.pl" to generate pdb files with "pdb" at the end.

Thanks very much for any help.

 

Jiayun

 

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