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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