Dear all，
After using the “VCSGC”, then using the “minimize” cannot bring the force in all directions close to 0
this is part of my script
fix mc all sgcmc
run
minimize 1.0e-13 1.0e-13 1000 1000
fix 1 all box/relax x 0 y 0 z 0
minimize 1.0e-13 1.0e-13 1000 1000
unfix 1
minimize 1.0e-13 1.0e-13 1000 1000
fix 1 all box/relax x 0 y 0 z 0
minimize 1.0e-13 1.0e-13 1000 1000
unfix 1
i will appreciate it if you give some advice
Thanks
If you want advice, you first need to improve your post. It is mis-formatted and its grammar makes no sense, so it is impossible to understand your question.
In general, providing only input fragments instead of a complete, small demonstration input deck makes is much harder, if not impossible to recognize any problems. The problem could just as well be outside the information you provide (and often is in cases where people provide only fragments of their input).
Sorry, I’ve made the change
Minimization will only be able to find “local” minima and those need not have all forces close to zero. That is a principal issue of minimization. You probably also want to “unfix” the the sgcmc fix during minimization. It doesn’t make much sense to use it in combination with minimization.
I’ve unfixed the “sgcmc” before minimizing，but it still didn’t work
I didn’t say this changes the potential landscape.
But the force in all directions is still great, how can I lower them? I sincerely look forward to your reply
I don’t know what would be a path to lower the forces. That is strongly dependent on your specific geometry and composition of your system.