[gmx-users] Error in atom type

[anu raj]

Dear users,

Force field: 53a6
water model: spcTermini : NH3+ and COO-

After the command:pdb2gmx -f ${MOL}.pdb -o ${MOL}.gro -p ${MOL}.top
-ter -merge -ignh

I have the following error:

Fatal error:
Fatal error:
Atom LPG1 in residue CYS 143 was not found in rtp entry CYSH with 8 atoms
while sorting atoms.

What is the appropriate atom type corresponding to LPG1 and LPG2 for cysteine?


Thanx

Anu
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