Hi everyone,
I had asked this question before but I will try to explain
myself more clearly.
I wan t to add -NH2 cap at the Cterminal end of my protein. I had included
"charmm" force
field into my gromacs 3.3.1.
I had added the following into my ffcharmm-c.tdb file
[NH2]
[replace]
O OB 15.994 -0.550
CA CT1 12.0110 0.070
C CD 12.0110 0.720
[add]
1 4 NH2 C CA C
NH2 14.0027 -0.7800
2 3 HT N CA C
HT 1.0080 0.3100
However, the coordinates of the added N is given by "pdb2gmx" as " nan nan nan".
If anyone can give any suggestion to fix this poblem, I will be highly obliged.
Thanks in advance,
Sarbani
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