[gmx-users] Normal mode analysis

2020-02-26 Thread Katrien Clerx
?Hello, Currently I am trying to perform a normal mode analysis on my pdb file using Gromacs 2019.3. But during energy minimalisation I can't seem te get my energy low enough. it remains around 10^01-10^00. I used the attached mdp-files. Am I doing something wrong? If so, what am I doing wr

Re: [gmx-users] Normal mode analysis

2020-02-26 Thread Katrien Clerx
r Biophysics From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se on behalf of Katrien Clerx Sent: Wednesday, February 26, 2020 6:31 AM To: gmx-us...@gromacs.org Subject: [EXTERNAL] [gmx-users] Normal mode analysis ?Hello, Currently I am trying to perform a normal mode analys

Re: [gmx-users] Normal mode analysis

2020-02-26 Thread Katrien Clerx
> Sent: woensdag 26 februari 2020 14:10 To: Katrien Clerx<mailto:katrien.cl...@student.kuleuven.be>; gmx-us...@gromacs.org<mailto:gmx-us...@gromacs.org> Subject: Re: [gmx-users] Normal mode analysis Hmmm How did you prepare the structure? Also, attachments are stripped from e