Re: [ESPResSo-devel] error in dawaanr interaction

[Ivan Cimrak]

Hi Peter, Florian,

Thank you for your prompt answer. Does it work also when lbfluid is turned on? Because when I try it with lbfluid and I set non-bonded interaction after the first integrate command I get the following error message:
realloc(): invalid pointer:0x0000000001feb658 ***


Script:
setmd time_step 0.1   
setmd skin 0.2
thermostat off
setmd box_l 20 20 20

part 0 pos 10 10 10 type 0
part 1 pos 11 10 10 type 1

lbfluid cpu grid 1 dens 1.0 visc 1.5 tau 0.1 friction 0.5

integrate 1
inter 0 1 soft-sphere 0.0005 1.2 2.0 0.0



Dňa 3.10.2014 14:32 Peter Košovan wrote / napísal(a):

Hi Ivan,

I am not sure if that fully answers your question, but:

1. You can turn on any interaction at any time, by calling the "inter ...." command.
2. You can effectively turn off most interactions (perhaps all) by setting some their parameters to zero (or other suitable value). But I think that there's no way to "delete" an interaction once it has been created.

Regards,

peter

2014-10-03 14:16 GMT+02:00 Ivan Cimrak <address@hidden>:

Hey guys,

I have two short questions:
1. Is it possible to turn on a non-bonded interaction during the simulation?
2. Is it possible to turn off a non-bonded interaction during the simulation? (I am aware of command part pid1 exclude pid2, this however turns off non-bonded interaction between specific two particles, not between all the particles...)
Thanks,
Ivan


--
Ivan Cimrak
FRI Zilinska Univerzita v Ziline
personal web: http://www.kst.fri.uniza.sk/~icimrak/
cell-in-fluid group: http://cell-in-fluid.fri.uniza.sk

--

Dr. Peter Košovan

Departmtent of Physical and Macromolecular Chemistry

Faculty of Science, Charles University in Prague, Czech Republic

Katedra fyzikální a makromolekulární chemie

Přírodovědecká fakulta Univerzity Karlovy v Praze

www.natur.cuni.cz/chemistry/fyzchem/
Tel. +420221951290

Fax +420224919752

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-- 
Ivan Cimrak
FRI Zilinska Univerzita v Ziline
personal web: http://www.kst.fri.uniza.sk/~icimrak/
cell-in-fluid group: http://cell-in-fluid.fri.uniza.sk