AMBER Archive (2008)

Subject: Re: AMBER: MM-PBSA problem

From: Jack Lei (leiming72_at_gmail.com)
Date: Fri Jan 04 2008 - 19:31:05 CST

More details in error messages, Please.

Like:
---------------------------------------------------------
bad atom type: f
sander -O -i sander_com.in -o sander_com.1.out -c ../01/AA_com.crd.1 -p
../01/AA.prmtop not successful
---------------------------------------------------------

Best,
Jack

On Jan 4, 2008 11:45 AM, stephane acoca <stephane.acoca_at_gmail.com> wrote:

> Hi, i've been trying to run MM-PBSA and get the same error:
>
> It runs through the complex and then protein . When it gets to the
> ligand it processes a few frames and puts out the following error:
>
> pbsa -O -i ... prmtop not successful
>
>
> I've run MM-GBSA without any problems so i'm wondering what could be
> happening to instigate this error.
>
> Stephane
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