VMD-L Mailing List
From: Leonhard Henkes (Kalavera_at_gmx.net)
Date: Mon Mar 09 2009 - 07:08:32 CDT
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Hey VMD community,
at the moment I have a small problem with the pdbalias command used by psfgen. I use this command to convert my input.pbd (produced with a program called PEPBUILDER) for the corresponding forcefield.
It works fine for atomnames that are not beginning with a number. But if the first part of the atomname is a number (e.g. 3HD1) the "pdbalias" doesn't work anymore. I think this is a syntax problem. The code I use is the following:
pdbalias atom ILE 1HD1 HD11
maybe you can help me here with my rookie question,
sincerely Manny Kalavera
-- Psssst! Schon vom neuen GMX MultiMessenger gehört? Der kann`s mit allen: http://www.gmx.net/de/go/multimessenger01
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