I’m using OPLS force field to simulate alkane liquid.
Is it ok to use parameters from this article? I haven’t found something newer.
jorgensen1996.pdf (339 KB)
I'm using OPLS force field to simulate alkane liquid.
Is it ok to use parameters from this article?
what difference will it make, if some random person that you don't
know will tell you "yes" or "no"?
either the parameters work well enough for what you want to use them
for or they don't. this *always* needs to be tested. of course, you
can also search for papers that have applied this set of parameters or
others to problems similar to what you want to do and use their
validation as guideline and reference.
axel.