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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Received on Tue Apr 24 2001 - 10:18:51 PDT