AMBER Archive (2001)

Subject: create a parm.top file

From: Pascal Bonnet (pascal_at_qorws1.uab.es)
Date: Tue Apr 24 2001 - 12:18:51 CDT

Dear Amber users,

I create a new trajectory file selecting the closest water molecules of my old
trajectory file.
So I use the ptraj subprogams, and it works well.

But later, I transform, with the carnal subprogram, this new trajectory file in
several *.pdb file (as snapshot). To do this I need the parm.top file. As the
number of atoms in the new trajectory file is different in the parm.top, I can
not executate it.

How can I create a new parm.top file?

Thanks
Pascal 

-- 
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Pascal Bonnet 	pascal_at_qorws1.uab.es

	   
Unitat Quimica Organica   and	    Institut de Chimie Organique et Analytique
Facultat de Ciences 		    UFR Sciences - UMR 6005
Universitat Autonoma de Barcelona   Rue de Chartres - BP 6759
08193 Bellaterra (SPAIN)	    45067 ORLEANS CEDEX 2 - France		   
Tel: 34935811266		    Tel: 0238494577  	    
Fax: 34935811265
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