[gmx-users] how to fix alpha carbon atoms

Geraudis Mustelier gera at ict.cim.sld.cu
Fri Nov 16 19:37:36 CET 2001

Dear gromac's users

I am interested in the use of gromacs for to refine a model of protein,
obtained with modeling by homology. But I want to fix the alpha carbon
atoms, so, only the side-chain must to change in the molecular dynamic

How I can do this?

Where and how to say to gromacs that restrict the movement or to fix the
coordinates of alpha carbons (or backbone) during the molecular dynamic

Please, I hope hearing from somebody as soon as possible

 MSc. Geraudis Mustelier-Portuondo

 Center of Molecular Immunology
 Calle 216 esq. A 15, Atabey, Playa
 A. Postal 16040, Havana 11600, CUBA

 email: gera at ict.cim.sld.cu

 Tel: 53-7-214335
 Fax: 53-7-335049

More information about the gromacs.org_gmx-users mailing list