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

From: Thomas Steinbrecher <steinbrt.scripps.edu>
Date: Wed, 23 Jun 2004 08:13:48 -0700

Hi Jiayun,

> 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.

This should not happen. Normaly Delphi needs files named fort1, fort2...
etc as input. mmpbsa should generate links to your files with the correct
names. However, I have only used Delphi4, where this problem does not
occur.

Regards,

Thomas

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jun 23 2004 - 16:53:00 PDT
Custom Search