NAMD for inorganics??

From: Vishal Kopardé (vnk_sim_at_yahoo.co.uk)
Date: Tue Nov 21 2006 - 15:18:47 CST

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Hi all,
If you know the interaction potential of a particular ion say Ti,
which is not included in the topology and parameter file (or you want
to use a particular interaction potential)provided with NAMD, is it
possible to create your own NAMD format parameter and topology file?
Is so, how?
In other words, if I wish to do simulations of Vanadium pent-oxide
nanowires using NAMD (already knowing the forcefield) is it possible??
Regards,
Vishal

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• Next message: Vishal Kopardé: "positive VDW??"
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• In reply to: Annalisa Marsico: "combine.tcl"
• Next in thread: Ana Celia Araujo Vila Verde: "RE: NAMD for inorganics??"
• Reply: Ana Celia Araujo Vila Verde: "RE: NAMD for inorganics??"
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