Re: [gmx-users] computation/memory modifications

On 3/13/18 9:50 AM, Mahmood Naderan wrote: Sorry about that. I didn't see that in the inbox. Excuse me... What am I thinking about are some notes in the tutorial. For example The above command centers the protein in the box (-c), and places it at least 1.0 nm from the box >edge (-d 1.0).

Re: [gmx-users] computation/memory modifications

Sorry about that. I didn't see that in the inbox. Excuse me... What am I thinking about are some notes in the tutorial. For example >The above command centers the protein in the box (-c), and places it at least >1.0 nm from the box >edge (-d 1.0). The box type is defined as a cube (-bt >cubic)

Re: [gmx-users] computation/memory modifications

On 3/13/18 2:49 AM, Mahmood Naderan wrote: No idea? Any feedback is appreciated. You likely missed my reply: https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2018-March/119068.html -Justin Regards, Mahmood On Friday, March 9, 2018, 9:47:33 PM GMT+3:30, Mahmood Naderan

Re: [gmx-users] computation/memory modifications

No idea? Any feedback is appreciated. Regards, Mahmood On Friday, March 9, 2018, 9:47:33 PM GMT+3:30, Mahmood Naderan wrote: Hi, I want to do some tests on the lysozyme tutorial. Assume that the tutorial with the default parameters which is run for 10ps, takes