[gmx-users] REGARDING DOUBT
jalemkul at vt.edu
Fri Nov 23 13:55:03 CET 2012
On 11/23/12 7:41 AM, Subramaniam Boopathi wrote:
> dear sir,
> i have give input that is* ./pdb2gmx_d -f activesite16-22.pdb
> -water tip3p -ignh*
> but i face some* errror like There is a dangling bond at at least one of
> the terminal ends and the force field does not provide terminal entries or
> files. Edit a .n.tdb and/or .c.tdb fi*le. i have made necessary correction
> in the .rtp file acccording to my pdb file.
What changes did you make? Do you have any unnatural amino acids or capping
groups? What are your terminal residues? What force field are you using?
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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