[gmx-users] Reg: Your suggestions for Gromacs simulation using a cofactor and a Zn ion together

[Amit Jaiswal]

Hello all,

I am a novice in Gromacs and i wanted to do a simulation of a protein-zn-cofactor complex together. The problems raised during simulation are:

1. How can i position restrain Zn ion? 
2. How can i generate a parameter file for NAD cofactor in Amber forcefield?
3. What are the steps required to successfully run the simulation? 

I request to let me know the steps briefly as it would help me a lot. Thanks in advance.

With kind regards,
Amit

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With kind regards,
Amit Jaiswal
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