[gmx-users] Extending simualtions

Fábio Filippi Matioli fabiofima at hotmail.com
Wed May 29 15:14:45 CEST 2013

Hello, I have a problem.
I try to extending my simulation. I made this steps.

tpbconv -s previous.tpr -extend timetoextendby -o next.tpr
mdrun -s next.tpr -cpi previous.cpt

I need to put more things on mdrun, or only this? because my first mdrun had 4 or 5 outputs, or the extending recognize de outputs from the first time?
I cant run, and gromcs give me this error 

File appending requested, but only 2 of the 4 output files are present


Fábio Filippi MatioliGraduando em Física MédicaUNESP-BotucatuTel (19) 9291.6738 		 	   		  

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