Re: [gmx-users] continuing the terminated simulation

mdrun -deffnm md_0_1 If the above crashed, do the following: mdrun -s md_0_1.tpr -cpi md_0_1.cpt -deffnm md_0_2 This way, pre-crash files are called md_0_1 and post-crash file will be named md_0_2[.cpt.gro.xtc.trr...]. The simulation will end when it reaches the number of steps entered in the initi

Re: [gmx-users] continuing the terminated simulation

Hi Delara, To continue a crashed simulation you just need to type in the following command without deffnm md. mdrun -s md_0_1.tpr -cpi md_0_1.cpt You can check the link here: http://www.gromacs.org/Documentation/How-tos/Doing_Restarts The continuation is down via the .cpt file. the _prev.cpt is