NAMDEnergy Plugin - setting PMEGridSize / mesh density

From: Lela Vukovic (lvukov1_at_gmail.com)
Date: Wed May 11 2011 - 14:48:51 CDT

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Hello,

I have a question about the NAMDEnergy Plugin: has anybody found a way
to set the PMEGridSize when running this plugin, rather than it being
automatically specified (as stated at:
http://www.ks.uiuc.edu/Research/vmd/plugins/namdenergy/ )?

We have an error of incompatible cell size (xsc file) with the
PMEGridSize: 256 A (set by us) versus 133 A (chosen automatically),
which gives us the following error:

FATAL ERROR: PMEGridSizeX 133 is too small for cell length 256.000000
and PMEGridSpacing 1.500000

Thank you,
Lela

• Next message: Michael S. Sellers (Cont, ARL/WMRD): "Re: NAMDEnergy Plugin - setting PMEGridSize / mesh density"
• Previous message: Axel Kohlmeyer: "Re: Re: 答复: compilation of namd"
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