Re: [gmx-users] Problem with running MD

Lili Peng wrote: Hi Justin, I do not think that the storage space is an issue because I had submitted another job to the queue (system of one molecule) yesterday, and it's almost near completion. My xtc file is ~4700 kB, trr file is ~22MB, and tpr file ~130MB. I've also checked my *.log f

Re: [gmx-users] Problem with running MD

Hi Justin, I do not think that the storage space is an issue because I had submitted another job to the queue (system of one molecule) yesterday, and it's almost near completion. My xtc file is ~4700 kB, trr file is ~22MB, and tpr file ~130MB. I've also checked my *.log files and nothing seems a

Re: [gmx-users] Problem with running MD

Lili Peng wrote: Hi all, I am having a problem while running an MD simulation on a system of 11 identical molecules solvated in a 50nm X 50 nm X 50nm box with Na+ ions. I submit my job, and it starts to run successfully. However, after 2500ps, the xtc and trr files do not increase in siz

[gmx-users] Problem with running MD

Hi all, I am having a problem while running an MD simulation on a system of 11 identical molecules solvated in a 50nm X 50 nm X 50nm box with Na+ ions. I submit my job, and it starts to run successfully. However, after 2500ps, the xtc and trr files do not increase in size anymore, which I presu