Hi Giacomo,
Run pdb2gmx with the -ter flag and select 'none' for both termini.
Best,
Tsjerk
On 11/9/06, Giacomo Bastianelli <[EMAIL PROTECTED]> wrote:
Dear Users,
I would like to avoid gromacs adding the extra
atoms (such as hydrogens and hydroxyls) to
my N-term and C-terms.
Is there any way to do that?
my best,
Giacomo Bastianelli
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--
Tsjerk A. Wassenaar, Ph.D.
post-doc
NMR, Utrecht University,
Padualaan 8,
3584 CH Utrecht, the Netherlands
P: +31-30-2539931
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