[gmx-users] regarding rtp file

priya thiyagarajan priya.thiyagarajan09 at gmail.com
Wed Dec 21 06:02:37 CET 2011


hello sir,
 Thanks for your reply..
As you suggest i tried with all available forcefield for my lipopeptide but
i am getting the same error,,


*Processing chain 2 'A' (16 atoms, 1 residues)
Warning: Starting residue BFC1 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 4.5.5
Source code file: resall.c, line: 581

Fatal error:
Residue 'BFC' not found in residue topology database
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------*


since mine is connected cyclic lipopeptide even i cant try using  prodrg
server too.
i dono how to generate my topology  file.
pls help me with your answer.
   Thanking you,
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