主月 :) wrote:
Hi everyone:
I found that in tip5p.itp, there is a note tell user to use tip5p model
with opls force field.
But what i really want to use is the gromos96. How can i include tip5p
model?
copy the vanderwaals parameters for the TIP5P oxygen to the
ffG43a1nb.itp file.
Thanks
Hi everyone:
I found that in tip5p.itp, there is a note tell
user to use tip5p model with opls force field.
But what i really want to use is the
gromos96. How can i include tip5p model?
Thanks a lot
*Ji
QingInstitute of Chemistry
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