<div>Hello gmxusers !!</div><div><br></div><div>gmxcheck on #spc_25_eq.trr prints: (#spc_25_eq.trr is the renamed from #spc_25_eq.trr.1#. mdrun was stopped due to insufficient space)</div><div><br></div>Checking file #spc_25_eq.trr<div>
trn version: GMX_trn_file (single precision)</div><div>Reading frame 0 time 2000.000</div><div># Atoms 33885</div><div>Reading frame 200 time 3000.000</div><div>WARNING: Incomplete frame: nr 214 time 3070</div>
<div><br></div><div><br></div><div>Item #frames Timestep (ps)</div><div>Step 214 5</div><div>Time 214 5</div><div>Lambda 214 5</div><div>Coords 214 5</div><div>Velocities 214 5</div>
<div>Forces 0</div><div>Box 214 5</div><div><br></div><div>on restarting the mdrun from state.cpi</div><div><br></div><div><div>mdrun -s spc_25_eq.tpr -cpi state.cpi -c spc_25_eq.pdb -o spc_25_eq.trr -e spc_25_eq.edr -g spc_25_eq.log -append yes</div>
<div><br></div><div><br></div><div>gmxcheck on spc_25_eq.trr prints:</div><div><br></div></div><div>Checking file spc_25_eq.trr</div><div>trn version: GMX_trn_file (single precision)</div><div>Reading frame 0 time 2000.000</div>
<div># Atoms 33885</div><div>Last frame 13 time 2065.000</div><div><br></div><div><br></div><div>Item #frames Timestep (ps)</div><div>Step 14 4.99999</div><div>Time 14 4.99999</div>
<div>Lambda 14 4.99999</div><div>Coords 14 4.99999</div><div>Velocities 14 4.99999</div><div>Forces 0</div><div>Box 14 4.99999</div><div><br></div><div>It seems that the -append command didn't append. How can the appending be done. </div>
<div><br></div><div><br></div><div>Chandan</div><div><br></div>--<br>Chandan kumar Choudhury<br>NCL, Pune<br>INDIA<br>