Dear all

I have to build a a combined system with two layers of minerals and a solution layer in between. Since I have to use CLAYFF to run the dynamics, so I want to use the same forcefield in Amorphous Cell to build the water box, but it seems I can't use CLAYFF to build the water box, because of the following error:"Energy difference between successive steps in dynamics is greater thatn the user defined variable DEVIATION". And I also got a warning:'Stress (pressure) calculation not performed since the nonbond method used does not calculate the Virial (cell derivatives)". But I found no place to change the energy deviation in Amorphous Cell.

I also tried Compass and CVFF, with them, I could build the water box, but I don't know if we can use one forcefield to build the structure but another forcefield to run the dynamics.

Could any one help me out? Thank you.

Jingjing