AMBER Archive (2001)

Subject: Re: using "radial" in PTRAJ

From: Pascal Bonnet (pascal_at_qorws1.uab.es)
Date: Fri Mar 09 2001 - 11:26:17 CST

dear Marios,

It miss your parm.top and your traj.out files.

So you have to write
PATH/amber/exe/ptraj
parm.top
trajin traj.crd 1001 2000 1 (traj.crd have to be your trajectory file)
trajout traj.out
radial rdf_volume.xmgr 0.5 8.0 :25_at_CD1
go (you have to write this in order to execute your ptraj.exe)

Please don't send your email in html format if you want to have replies.
pascal

On Dec 27, 4:17am, Marios Philippopoulos wrote:
> Subject: using "radial" in PTRAJ
>
> [ Attachment (multipart/alternative): 1817 bytes ]
>-- End of excerpt from Marios Philippopoulos 

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Pascal Bonnet 	pascal_at_qorws1.uab.es

	   
Unitat Quimica Organica   and	    Institut de Chimie Organique et Analytique
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