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From: | Jacob Kirkensgaard |
Subject: | Re: [ESPResSo] NPT parameter problem |
Date: | Tue, 16 Jun 2009 16:29:54 +0200 |
hi XinghuaYes, it means that in this case the box size is only altered in the x and y directions, not z. If you want the whole box to scale set it to 1 1 1.
Best, Jacob On Jun 16, 2009, at 4:12 PM, Xinghua Shi wrote:
Hi folks, In the input file ~package/mbtools/scripts/main.tcl, the parameter for NPT is something like integrate set npt_isotropic $p_ext $piston_mass 1 1 0 Just curious about the extra parameters "1 1 0", which not exist in the manual, so couldn't understand the meaning. Is it used to adjust the box size? Best regards Xinghua _______________________________________________ ESPResSo mailing list address@hidden https://fias.uni-frankfurt.de/mailman/listinfo/espresso
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