[gmx-users] Protein Simulations using gromacs

[Komath Damodaran]

Hi all,

I have couple of basic questions:

1. Is there an option in pdb2gmx to retain the original residue numbers?

2. What is the common practice to deal with breaks in the protein
chains? Is it good to terminate each fragment with acetyl groups?

 

Thanks,

Dam

-------------------------------------------

Komath Damodaran

Scientist, Computational Chemistry

Telik, Inc.

3165 Porter Drive

Palo Alto, CA 94304

Tel: (650) 845-7838, Fax: 650-845-7800

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