[gmx-users] oplsaa tooology for urea

Alex nedomacho at gmail.com
Tue Jun 4 00:28:42 CEST 2019


Hi all,

I do have a topology for urea from TPP, but, to use the terminology
frequently used here, "i have a DOUBT." ;)
Before I have gone into the full literature scouring mode, my DOUBT brought
me to this:
https://www.researchgate.net/post/Please_provide_me_ureagro_and_ureaitp_files_for_MDS
For the life of me, I can't find any rtp entries related to urea in
oplsaa.ff, which is my FF of choice.

Justin, any thoughts?

Thanks,

Alex


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