[Top][All Lists]
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
[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:1.9.2.8) Gecko/20100802 Thunderbird/3.1.2 |
Hello!
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
- [ESPResSo] Changing nonbonded tabulated interaction potentials in mid-run,
Steven R. Kirk <=