On 9/06/2012 10:30 PM, ramaraju801 wrote:
yes, when creating the topology file i added atom O2 to the .rtp file when it
said atom O2 is missing in atomstype
Adding O2 to any file is an effective solution. You need to fix your
termini properly, by using pdb2gmx -ter or the contents of your
coordinate file.
Mark
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