[gmx-users] grompp erro

Albert mailmd2011 at gmail.com
Tue Jan 21 09:13:13 CET 2014

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.


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