[gmx-users] hem issue

Mehreen Jan mehreen_jan1990 at yahoo.com
Tue Feb 14 13:34:46 CET 2017

Hello Sir,
I am using 
spc watermodel
gromacs verion 5.0.7

I am currently simulating heme containing protein and I get segmentation error in equilibration step. What should I do? I read on discussion forum that the reason behind this, forces may be too high or may have enormous positive energy. Kindly please guide me How should the forces or energy be lowered ? 
i want to simulate separately as a unbound i get error HEM not found  in rtp file . i manually observed rtp file we HEME is present.  
   Thanks in advance

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