Re: [gmx-users] Energy Minimzation with Gromacs leads to distortion of planar groups

? In some cases for EM, it has even been recommended. -Justin Andreas --- From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of NG HUI WEN Sent: 20 September 2010 04:21 To: gmx-users@gromacs.org Subject: [gmx-users] Energy Minimzation wi

RE: [gmx-users] Energy Minimzation with Gromacs leads to distortion of planar groups

@gromacs.org Subject: [gmx-users] Energy Minimzation with Gromacs leads to distortion of planar groups Dear Gmxusers, I have noticed that energy minimization with gromacs (gromos G53a6 forcefield) had led to the distortion of sidechain planarity in my protein model. Comparison of PROCEHCK results

Re: [gmx-users] Energy Minimzation with Gromacs leads to distortion of planar groups

NG HUI WEN wrote: Dear Gmxusers, I have noticed that energy minimization with gromacs (gromos G53a6 forcefield) had led to the distortion of sidechain planarity in my protein model. Comparison of PROCEHCK results between the pre- and post energy minimized structures have shown an increas

[gmx-users] Energy Minimzation with Gromacs leads to distortion of planar groups

Dear Gmxusers, I have noticed that energy minimization with gromacs (gromos G53a6 forcefield) had led to the distortion of sidechain planarity in my protein model. Comparison of PROCEHCK results between the pre- and post energy minimized structures have shown an increase in the number of distor