[gmx-users] martinize.py: option for partly have elastic network on partly in the protein
x.periole at rug.nl
Thu Dec 18 16:56:34 CET 2014
There is no specific option to do this but you can go in the itp file where the electric network is defined and comment out the section corresponding to the n-terminus.
> On Dec 18, 2014, at 14:57, shivangi nangia <shivangi.nangia at gmail.com> wrote:
> Dear gmx-users,
> I wish to coarse grain a peptide, while keeping only the N-terminal
> flexible (elastic network off) and rest protein elastic on.
> Is there any option/flag to selectively pick residues on which I do not
> want elastic network on.
> Kindly suggest.
> Thanks in advance,
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