[gmx-users] pdb2gmx - generating topology for helicase-DNA complex (3PJR)

, Max Winokan PhD Candidate in Theoretical Physics Leverhulme Quantum Biology Doctoral Training Centre University of Surrey -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read

[gmx-users] Atom positions change between topology generation and NVT mdrun

configuration. Please could someone fill me in on the source of these position changes, and how I can modify my methods to avoid these. Thank you and best regards, Max Winokan PhD Candidate in Theoretical Physics Leverhulme Quantum Biology Doctoral Training Centre University of

[gmx-users] Atom positions change between topology generation and NVT equilibration

configuration. Please could someone fill me in on the source of these position changes, and how I can modify my methods to avoid these. Thank you and best regards, Max Winokan PhD Candidate in Theoretical Physics Leverhulme Quantum Biology Doctoral Training Centre University of

Re: [gmx-users] Atom positions change between topology generation and NVT equilibration

step are very different to the input topology, see my original email below. Best, Max From: on behalf of Max Winokan Reply to: Date: Wednesday, 29 April 2020 at 1:36 PM To: Subject: [gmx-users] Atom positions change between topology generation and NVT equilibration Dear GMX