On 5/01/2012 12:07 PM, anu raj wrote:
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?
Are they even atoms? What are they doing in a cysteine? Mark
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