From: Jeff Comer (jeffcomer_at_gmail.com)
Date: Wed Jan 07 2015 - 20:15:30 CST
What's PS? This error means that you haven't defined parameters for a
bond interaction between two atoms in your system. CG331 and HGA2 look
like types from the CHARMM General Force Field. Do you have
"parameters par_all36_cgenff.prm" in your NAMD config file? Do you
have a parameter file for PS (whatever that is)?
Jeff
–––––––––––––––––––––––––––––––––––———————
Jeffrey Comer, PhD
Assistant Professor
Institute of Computational Comparative Medicine
Nanotechnology Innovation Center of Kansas State
Kansas State University
Office: P-213 Mosier Hall
Phone: 785-532-6311
On Wed, Jan 7, 2015 at 7:58 PM, Mihaela Drenscko <quo.physics_at_gmail.com> wrote:
> Hi,
>
> I was running a namd simulation of ps in water and I've got this error:
> Charm++ fatal error:
> FATAL ERROR: UNABLE TO FIND BOND PARAMETERS FOR CG331 HGA2 (ATOMS 15 16)
>
> How do I fix it?
> Thank you,
> Mihaela
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