From: matteo filandri (fgmlo_at_hotmail.com)
Date: Thu Mar 09 2006 - 07:57:54 CST
Before starting......is it possible to build this type of PCB with NAMD???
1. If yes how can I do this and how do I set the "cellBasisVector"
2. Is it necessary to setting the pressure control with different values
for example, GramicidinA tutorial???
3. Can I use the parm7 and inpcrd files of AMBER with truncated octahedron
system with NAMD???
4. I need to run a NVT dynamic before an NPT one. Can I use the settings
in the GramicidinA tutorial, where the dimensions of the box are free to
useGroupPressure yes # smaller fluctuations
useFlexibleCell yes # allow dimensions to fluctuate independently
useConstantRatio yes # fix shape in x-y plane
5. or can you give me some infos about setting an NVT dynamic with NAMD??
Thank you in advance and have a good day.
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