Messages

Hello RASPA users,

I was wondering if anyone had worked on adding custom (non-bonded) interaction functions to the code. I would appreciate any help with that! Thank you.

Hi, is there a way to save images with a transparent background?

Also, are atom colors fixed?

Hi,

I have two questions:

1. Sometimes the bonds in my zeolite structures do not render, (I think if Si and O atoms are too distant). How do I fix this?


2. Is there a trick to turning off M sites when visualizing the TIP4P water model in iRaspa? 

Thank you!

Thank you, Dr. Dubbeldam. It's nice that we can set up both VDW and Coulomb cutoffs individually in RASPA!

Hi,

I just started learning RASPA and I am trying to set up a Gibbs Ensemble VLE, the previous software I used (MCCCS-MN) allowed me to have a different cut-off length for vapor and liquid boxes. I was trying to use 2 different ones where the box is defined in the simulation input file for Raspa.. but it seems like it only reads it from the Force Field definition sections and can take only a single value for both the boxes. Is there a way to work around that?