[gmx-users] Difference between NH2 in c-term and aminoacids

Myunggi Yi myunggi at pukyong.ac.kr
Wed Jun 19 09:51:55 CEST 2019

Dear users,

I am modifying top files to prepare my own n- and c-termini.

Can someone explain why charges in the NH2 residue in "aminoacids.n.tdb"
file and "aminoacids.rtp" are different?

Thank you in advance.

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