[gmx-users] Regarding beta-alanine amino acid molecule in charmm 36 FF
Dilip H N
cy16f01.dilip at nitk.edu.in
Thu Oct 12 11:03:41 CEST 2017
1] I wanted to simulate beta-alanine amino acid. Since i am using charmm 36
FF for simulation of other molecules too, so prefer using the same
But i tried searching in the .rtp file, but only alanine [ALA] amino-acid
is there...but not beta-alanine. So i am not able to find it in charmm 36
So can anybody help/suggest on how to solve this issue..
2] How can i find the required molecule in the .rtp file..?? since its full
name is not written in the file.for eg., what is [ 11BPO ]..?? which
molecule does it represent..?? etc...
With Best Regards,
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