AMBER Archive (2006)

Subject: Re: AMBER: input conversion error mm_pbsa

From: David A. Case (
Date: Tue Aug 15 2006 - 17:47:19 CDT

On Wed, Aug 16, 2006, AYTUG TUNCEL wrote:
> forrtl: severe (64): input conversion error, unit 8, file
> /atuncel/Desktop/comp/snapshots/complex.mdcrd

> /atuncel/Desktop/amber8/exe/sander -O -i -o
> sander_com.1.out -c /atuncel/Desktop/comp/snapshots/agpase_com.crd.1
> -p /atuncel/Desktop/comp/snapshots/complex.mdcrd not successful

The "-p" flag specifies the prmtop file, but you seem to be pointing to a
trajectory file ("complex.mdcrd"). So, you need to figure out how sander is
being invoked, and give it the correct files.


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