Hi all:
I have a basic question here. I want to simulate a infinite alpha-helix
protein, say alanine represented using a unit cell containning 11 residues.
Now I want to simulate it in GROMACS but don't know how to generate TOP for the
structure, i.e. the connectivity between the 1st residue and image of 11th
residue. Conventional TOP generation process using pdb2gmx will terminated them
rather than fit my need.
Could anyone here give me a hand? Thanks.
Best,
ZP
--
XU Zhiping, Ph. D
Civil and Environmental Engineering
MIT, Cambridge, MA 02139
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