[gmx-users] Single precision enough for MD of peptide?

Hi GMX users, I just installed GROMACS 2018.4 on my windows PC without GPU support. My PC is capable of only single precision with a 64-bit memory, would this affect the trajectory of my peptide? Many thanks, Neena -- Gromacs Users mailing list * Please search the archive at http://www.gr

Re: [gmx-users] Single precision enough for MD of peptide?

On 1/12/19 10:15 AM, Neena Susan Eappen wrote: Hi GMX users, I just installed GROMACS 2018.4 on my windows PC without GPU support. My PC is capable of only single precision with a 64-bit memory, would this affect the trajectory of my peptide? Nearly all conventional MD simulations are d

Re: [gmx-users] Single precision enough for MD of peptide?

Hi Justin, Thank you. What is the solution for this? Neena From: Neena Susan Eappen Sent: Saturday, January 12, 2019 3:15:11 PM To: gromacs.org_gmx-users@maillist.sys.kth.se Subject: [gmx-users] Single precision enough for MD of peptide? Hi GMX users, I

Re: [gmx-users] Single precision enough for MD of peptide?

On 1/15/19 10:39 AM, Neena Susan Eappen wrote: Hi Justin, Thank you. What is the solution for this? Solution to what? -Justin -- == Justin A. Lemkul, Ph.D. Assistant Professor Office: 301 Fralin Hall Lab: 303 Engel Hall Virginia Tech Depa