[gmx-users] atom H is missing in the first residue in a chain
zhozheng at gmail.com
Wed Jan 14 19:43:56 CET 2009
I am running Gromacs on a three-chain protein. The program complains
about "atom H is missing in residue ALA 1 in the pdb file, You might
need to add atom H to the hydrogen database of residue ALA in the file
ff???.hdb (see the manual)". It's a warning message. I can use the
option -missing to ignore it. However I would like to understand this.
It's always the first residue in the chain. So I am thinking this is
because they are the n-terminus. Then why no complain about c-
terminus? How can I fix this?
Thanks a lot.
Physics Dept., City College-CUNY
Marshak Science Building J-419 ,
160 Convent Ave,
New York, NY 10031 USA
MCCE wiki: scratchpad.wikia.com/wiki/MCCE
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