[gmx-users] terminal residue
lpulagam at uos.de
Mon Sep 22 12:33:01 CEST 2003
Dear Gmx users,
i want to use a protein along with an heteroatom. the heteroatom is linked to
the protein. the terminal atom of the heteroatom is ch3. it has to link with
lysine NH2 ( sidechain).
i am getting error in pdb2gmx. that c is not fount in 220 residue. which is my
heteroatom residue number.
how can i solve this. hetero atom number is 220, and lysine number is 216.
how will the gromacs recognise the CH3 as terminal.
can i add this CH3 in ***_c.tdb ?
could anybody help me regarding this?
thank you very much in advance.
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