Hiiii Everybody ther,
I am simulating two already docked proteins which are in a single .pdb file to study the aggregation behavior. Doing for the first time, I have tried with and without TER option too. There are 28 residues and 240 atoms in first chain A and same number of atoms in chain B. But while using pdb2gmx command following error is coming.. Processing chain 1 'A' (199 atoms, 28 residues) There are 32 donors and 36 acceptors There are 39 hydrogen bonds ------------------------------------------------------- Program pdb2gmx, VERSION 3.3.1 Source code file: pdb2gmx.c, line: 393 Fatal error: Atom S in residue MET 21 not found in rtp entry with 9 atoms while sorting atoms .. All Suggestions are welcome. And why it is showing only chain 1 A. Regards Radhika
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