[gmx-users] Re: distance_restraints

[maggin]

Hi, Justin,

I use Pymol to align the NMR structure and the structure after steep
minimization, find problematic areas are superposition very well, while all
the problematic areas have same character, that after steep minimization,
Amino acid will lose some H atoms  connect with C

<http://gromacs.5086.x6.nabble.com/file/n5009124/GLY124.png> 

<http://gromacs.5086.x6.nabble.com/file/n5009124/PRO137.png> 

<http://gromacs.5086.x6.nabble.com/file/n5009124/PHE141.png> 

<http://gromacs.5086.x6.nabble.com/file/n5009124/ASP144.png> 

<http://gromacs.5086.x6.nabble.com/file/n5009124/PRO165.png> 

<http://gromacs.5086.x6.nabble.com/file/n5009124/VAL166.png> 

When I check other place, find they are same with the problematic areas,
amino acid lose some H atoms  connect with C

So, it's unlike lose H atomes cause these LINCS WARNING.

maggin





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