Hello Everyone,
I have built a Mesostructure template and packed it with polymer chains.When I perform a DPD run, I get the following error
An unphysical integration step is detected,relax the structure or reduce the integration time step.
How to relax a structure prior to DPD run?Can we perform geometry optimization and then proceed with the DPD run?
Could anyone help me out?
Thank you,
Deepa
I have built a Mesostructure template and packed it with polymer chains.When I perform a DPD run, I get the following error
An unphysical integration step is detected,relax the structure or reduce the integration time step.
How to relax a structure prior to DPD run?Can we perform geometry optimization and then proceed with the DPD run?
Could anyone help me out?
Thank you,
Deepa