[gmx-users] how to extend 1ns Unfolding simulation to 6ns
rdsharma_4u at yahoo.com
Sun Aug 3 15:51:34 CEST 2008
i have a problem that on unfolding simulation my protein unfolds quickly within 500ps 70% and rest stable in entire simulation as this is the state of equilibrium in which gromacs equilibrate the system ,so we wann'a do an equilibrium MD for 1ns than have to extend to 6ns, it looks like hard because when we start a extended simulation,it takes previous .tpr file,
is anyone have idea how to perform this kind of simulation ?????
Ravi Datta Sharma Lecturer, Bioinformatics,
Department of Microbiology,
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