[gmx-users] Dissociation of Ligand-reg

[ITHAYARAJA]

Dear Sir,

Greeting!

I convey my thanks to your kind reply for rising whatever doubts and
troubles in gromacs.

I able to do my simulation with desire ligand following your instruction.
Now I am interested to simulate the dissociation of bound ligand
particularly one molecule among three. Sir, I need your help to do this
dynamics study. I also went through some article which refers to SMD, TMD,
IMD, REMD and AFM pulling able to do the job. So, Kindly instruct me which
one can support gromacs for ligand dissociation simulation and What are the
parameter set ?

Thanks in advance


Kind regards with,

-- 
**
Ithayaraja M,
Research Scholar,
Department of Bionformatics,
Bharathiar University,
Coimbatore 641 046,
Tamil Nadu
India
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