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[ESPResSo] Changing nonbonded tabulated interaction potentials in mid-ru

From: Steven R. Kirk
Subject: [ESPResSo] Changing nonbonded tabulated interaction potentials in mid-run
Date: Mon, 23 Aug 2010 15:39:09 +0800
User-agent: Mozilla/5.0 (Windows; U; Windows NT 5.1; en-US; rv: Gecko/20100802 Thunderbird/3.1.2


I'm using tabulated potentials for calculating interactions between
particles of a single species. I want to alter this potential mid-run,
and I also want change the number of points where the new potential is
tabulated (currently I get the error message:

number of data points does not match the existing table


So can I do the following:

inter 0 0 tabulated tab_pot1.dat

Then later in the script do:

inter 0 0 tabulated tab_pot2.dat

Do I need to remove the first interaction before specifying the second?
Are there any alternative means to achieve the same goal (if so, would
be very grateful for details).

Many thanks in advance,
Steve Kirk

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