On 01/20/11, bharat gupta <bharat.85.m...@gmail.com> wrote: > I have read that document .. but still I do have confusion .. > > > > mdrun -s md_0_1.tpr -f md_0_1.trr -e md_0_1.edr -o md_0_1.trr -g md_0_1.log > -cpi -append... and I also completed 2 ns of the 3ns simulation.. So I want > to whether it will start from 2ns or from beginning... > >
It will start from the point that is in the checkpoint file passed with -cpi. Saving a copy of your simulation directory and trying it out would probably have been faster than emailing. Mark > > > -- > > Bharat > Ph.D. Candidate > Room No. : 7202A, 2nd Floor > Biomolecular Engineering Laboratory > Division of Chemical Engineering and Polymer Science > Pusan National University > Busan -609735 > South Korea > Lab phone no. - +82-51-510-3680, +82-51-583-8343 > > > Mobile no. - 010-5818-3680 > E-mail : monu46...@yahoo.com > > > >
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