Thanks for your reply but i have a bigger system and i have a rigid part and a non rigid part . But i wanted to test this , and after relaxation i want to use smd . As i asked you before, this way i wanted to see if there is much difference between temp and temp/com . But i could not reach my goal temp even in relaxation part. So i would appreciate your suggestions.
i have nothing to add or modify to my previous reply. your test is as meaningless as i was explaining. that you want to use it for something else makes no difference. and you have to have a quite large number of rigid objects for computing and controlling the temperature with a thermostat to make sense. as i noted before, this is not a LAMMPS issue, but a matter of understanding statistical mechanics. i suggest you grab a stat mech text book and catch up until you either agree with me or can prove convincingly that i am wrong.
please keep in mind, that i can only answer to the question you ask in a particular e-mail. i respond to too many e-mails to remember what people have written before. so if you want a concise answer, you have to ask a concise question.
axel.
Thanks alot i have a problem understanding this concept is it wrong to use fix rigid/nvt when i have only one rogid body and several non rigid bodies?
Thanks alot
i have a problem understanding this concept
then you should follow my advice and study (more) statistical mechanics until you understand.
how are you draw useful conclusions from your simulations when you are struggling to understand some of the core concepts?
this is not the place and i don’t have the time to give you a personal tutorial in these matters.
is it wrong to use fix rigid/nvt when i have only one rogid body and several non rigid bodies?
i have nothing to add to my previous statements and it is not my job to make your decisions.
axel.