Hello, I am trying to extend a simulation to 2 ns and wanted to know if I am using the proper tools for this purpose. (version 4.5.4)
1) tpbconv –f old.trr -s old.tpr –e old.edr -o old-extend.tpr -until 2000 mdrun -s old-extend.tpr -cpi old.cpt -o old-extend -c old-extend -e old-extend Is what I am doing correct? 2) Can I use the following in 4.5.4 instead of above? mdrun -s old.tpr -cpi old.cpt -append 2000 -- Thanks,
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