AMBER Archive (2006)

Subject: AMBER: Installing Delphi to perform mm_pbsa analysis?

From: Alfredo Quevedo (alfredoq_at_mail.fcq.unc.edu.ar)
Date: Wed Apr 19 2006 - 12:39:13 CDT

Hi Amber community.
I have a question regarding the Delphi software to perform the mm_pbsa
analysis.
Firstly, I understand that the Delphi package is not provided with the amber
package, so it needs to be downloaded and installed in order to complete the
mm_pbsa analysis, is this correct??, Secondly, I have assumed that what
preceeds is true, so I downloaded the Delphi linux rpm package and installed
it. This package seems to come precompiled, and when trying to execute the
program it complains about a missing "libpgc.so" library. Doing some search
over the web I found that this may be due to the fact that Delphi has been
compiled with the Portland Group fortran compiler (PGFC). My question is how
can I make the program work with a compatible library or compiler that doesnt
need to be purchased (like PGFC).
Thanks in advance for the help
Best wishes

Alfredo Quevedo

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