Hi all,
I’m trying to compress a simulation box to the production run density. I’m using fix deform with remap x. I was wondering if it would be better to use fix deform remap v with the fix nct/sllod?
Thanks
Hi all,
I’m trying to compress a simulation box to the production run density. I’m using fix deform with remap x. I was wondering if it would be better to use fix deform remap v with the fix nct/sllod?
Thanks
Fix nvt/sllod and remap v are for systems that are flowing, generally rapidly.
Just compressing a system is fine with fix deform and remap x. Presumably
you are also doing it relatively slowly.
Steve