[gmx-users] Replica exchange checkpoint error

[金 瑞涛]

Hello Dhaniram

Thanks for repling me! Is -append option a default option?

Best regards

Riotto



Sent from my Samsung Galaxy smartphone.


-------- Original message --------
From: Dhaniram Mahato <bioinfojsr at gmail.com>
Date: 27/1/18 3:14 pm (GMT+10:00)
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] Replica exchange checkpoint error

you can try by adding this line in your mdrun_mpi command.

mdrun_mpi -s topol.tpr -cpi state.cpt -append -multi 48 ....
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