[gmx-users] problems to constructe topology for non-standardresidues

Mu Yuguang (Dr) YGMu at ntu.edu.sg
Thu Nov 3 03:42:49 CET 2005

Just in bonds segtion write

-C  N

C  +N


Here -C means the C from last residue and +N is the N from next residue



Dr. Yuguang Mu

Division of Structural and Computational Biology

School of Biological Sciences

Nanyang Technological University

60 Nanyang Drive 

Singapore 637551

Tel: 63162885

Fax: 67913856



From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of HR Hu
Sent: Thursday, November 03, 2005 10:39 AM
To: gmx-users at gromacs.org
Subject: [gmx-users] problems to constructe topology for


On 11/3/05, HR Hu <hrhu75 at gmail.com> wrote: 

Hi, dear all,

   now I need to construct topologies for the non-standard residue in my
protein. I don't know how to deal with the truncated terminal group: -CO
and -NH. thanks in advance!


H. R.  Hu

State Key laboratory of Genetic Engineering,

Scool of Life Sciences,

Fudan University

Handan road 220, Shanghai, 200433



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