hi salvador/zunjingI looked at it again: wasn't the bug Zunjing mentioned only in the tabulated bonded interactions, and not the non-bonded? If so, then it wouldn't affect what you mention Salvador (I guess)? Can you comment Zunjing...
If so, the problem might be in the ljcos2 - some time ago Ira Cooke wrote this to me:
<<
The lj-cos2 potential is an
alternative way to describe the potentials (ie using a formula
instead of a lookup table). Ben Reynolds (still working with Markus
Deserno) implemented it and it might work properly now .. but then
again it might not work .. I haven't tested it so I wouldn't use it.
>>
Does anyone know if this potential is working properly???
best, Jacob
On Jul 24, 2009, at 9:38 PM, Salvador Herrera Velarde wrote: Hello,
Some days ago I sent an email asking for help to clarificate the proper way to calculate the
surface tension of a simple membrane. could anybody confirm the ideas and formula that I wrote in
that email?
Besides, I also commented about some discrepancies in the results for a simple bilayer membrane
using tabulated potentials and analytical potentials.
Kindly, Zunjing suggested the possible existence of a bug in tab.h and how to fix it. So, I recompiled ESPResSO with the " new " tab.h, but I still have different results. I would like to know if somebody has a similar experiencie ? is there a bug in tab.h? Perhaps someone could take a look to my scritps?
Thanks a lot,
Salvador
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