[gmx-users] Fw: problem in extending MD in Gromacs 2018
stud.l_mafakher at pasteur.ac.ir
Tue Oct 30 15:13:37 CET 2018
From: Ladan Mafakhe
Sent: Friday, October 19, 2018 11:17 PM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: problem in extending MD in Gromacs 2018
I use Gromacs 2018 and I have a problem at Extending my MD in this version. I used these commands for extending my MD:
gmx convert-tpr -s md_0_1.tpr -f md_0_1.trr -e md_0_1.edr -o md-ex.tpr -until 40000
gmx convert-tpr -s md_0_1.tpr -o md-extended.tpr -extend 30000
but in both cases, my MD started at beginning steps and not be extended. While I did not have such problem in Gromacs 5. What is my problem and how I can fix it?
I really thank you for helping me with this issue.
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