On 01/21/2014 12:46 AM, Mark Abraham wrote:
Why are you trying to make a methylated amine into an NH2 via your choice
of 1 for -ter?
Mark
yes, for the c-term. I delete the frist residue Thr from my pdb file,
and the problem solved. It seems that this error related the Thr at n-term.
best
Albert
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