Cyclodextrin simulation in gromacs
0
0
Entering edit mode
4.8 years ago
kesav43 • 0

Dear friends, I am trying to perform the REMD simulation for the cyclodextrin in gromacs. Buti got error in my first step of converting pdb2gmx. the error is

Warning: Starting residue 0 in chain not identified as Protein/RNA/DNA. Problem with chain definition, or missing terminal residues. This chain does not appear to contain a recognized chain molecule. If this is incorrect, you can edit residuetypes.dat to modify the behavior. 8 out of 8 lines of specbond.dat converted successfully


Program pdb2gmx, VERSION 4.6.5 Source code file: /build/buildd/gromacs-4.6.5/src/kernel/resall.c, line: 642

Fatal error: Residue '' not found in residue topology database


Could you please help me out in solving the error to perform the simulation.

with regards Kesavan Ekambaram

gromacs cyclodextrin • 1.6k views
ADD COMMENT

Login before adding your answer.

Traffic: 2700 users visited in the last hour
Help About
FAQ
Access RSS
API
Stats

Use of this site constitutes acceptance of our User Agreement and Privacy Policy.

Powered by the version 2.3.6