AMBER Archive (2009)

Subject: RE: [AMBER] MM - PBSA problem

From: Niel Henriksen (niel.henriksen_at_utah.edu)
Date: Thu Jan 22 2009 - 18:52:09 CST

Hi Musa,

>Dear Amber users,
>I've trying to use mm-pbsa tool of AMBER, and everytime I use I get the same
>error. I tried every possible suggestions in the old mails. However I
>couldn't fix the problem. I would be very glad if you help me. Here is my
>output:

>........
>=>> Calc delta from raw data
> No data for 0+0 PB ELRAELE 0

If Jenk's suggestion doesn't work, here is another idea.

I think you may be having a problem that has been reported before. I had a similar issue and I used the fix described here:
http://archive.ambermd.org/200806/0357.html

I don't think there has been an "official" response as to whether this fix is valid or not, so use at your own risk (I vaguely remember success at comparing results from amber9 with amber10).

-niel
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