求助gmx hbond做氢键分析得到的氢键数量结果

ys_song

DOUKUN 发表于 2023-8-1 08:23
我的第三列也比第二列小啊，什么原因呢？不知道有没有高人解答

If the program finds a pair shorter than 0.35nm, and the angle is smaller than
30deg., then the program put this pair in the column 2.
If the program finds a pair shorter than 0.35nm, and the angle is larger than
30deg., then the program put this pair in the column 3.
as said here by Jianguo Li.

chenbq18

有什么方法，能输出每一帧中所形成氢键的详细信息吗，比如输出残基名序号，原子名，供受体等？