Re: CHARMM force field for Hydrogen bond?

From: HEMANTH H 18310019 (hemanth.h_at_iitgn.ac.in)
Date: Mon Jan 07 2019 - 20:59:58 CST

Can you please post your input file? I think that you might either have not
set the atom type for C and H to CG2R61 and HGR61 respectively, or haven't
included those parameter files in your script

On Tue 8 Jan, 2019, 3:49 AM Nasim Rajabi <nr8869_at_remove_yahoo.com wrote:

> hi everyone
> i have a functionalized graphene nanopore which the unsaturated carbon
> atoms at the pore edge were bonded with the H atoms,i solvate and ionize
> the system using vmd but when i want to minimize my system using NAMD with
> CHARMM27 force field i got this error:
> FATAL ERROR: UNABLE TO FIND BOND PARAMETERS FOR C H (ATOMS 518 925)
> but i cant find bond parameters for hydrogen with carbon in any CHARMM
> force fields!!!
> Can someone help me to solve this problem???
>

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