[gmx-users] Re: Final state not reached in pulling simulation

Dear Thomas, Thanks for ur reply. I have visualized my trajectory and found no water molecule in between. Moreover, there are no residues in between the Residue and GTP molecule too. I feel I have already applied a large force for the pulling. Still I will consider you suggestion. One query

[gmx-users] Re: Final state not reached in pulling simulation

Dear Justin, Thanks for the suggestion regarding the pull force. 1)I will try by reducing the pull force to 1000 and 100 KJmol/nm2 now. Regarding the force being applied in z-direction, after visualizing my trajectory i thought it would work by providing force in z-direction. 2)Regarding the

Re: [gmx-users] Re: Final state not reached in pulling simulation

On 7/13/12 2:32 AM, Neeru Sharma wrote: Dear Justin, Thanks for the suggestion regarding the pull force. 1)I will try by reducing the pull force to 1000 and 100 KJmol/nm2 now. Regarding the force being applied in z-direction, after visualizing my trajectory i thought it would work by

[gmx-users] Re: Final state not reached in pulling simulation

Thanks Justin for all your comments and suggestion. I am not using any position restraints as of now. But I will try out more parameters and more options. Thanks again. --Neeru -- View this message in context: