[gmx-users] peptide aggregation

Shine A shine.a at iisertvm.ac.in
Tue Feb 11 19:59:15 CET 2014


       Now I am studying the aggregation propensity of a peptide using
gromacs. To study the effect of neighbouring molecules on aggregation I am
planning to do an MD simulation by reducing distance between end of the
protein and edge of the box. Is this is physically significant? Then what
is the optimum distance for that?

Thanks in advance

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