[gmx-users] Re: Minimizing a structure having a heteroatom

[bharat gupta]

Hi all

I have modeled a structure with the active site residue as a
heteroatom (formyl glycine) and when I am minimizing the structure
gromacs is giving error that it cannot minimize it .. can anybody tell
me how can i minimize it ...

thanks

-- 
Bharat
M.Sc. Bioinformatics (Final year)
Centre for Bioinformatics
Pondicherry University
Puducherry
India
Mob. +919962670525