Re: FATAL ERROR: UNABLE TO FIND BOND PARAMETERS FOR CTL2 OC301 (ATOMS 25 45)

From: Sourav Ray (souravray90_at_gmail.com)
Date: Fri Jun 12 2015 - 13:49:00 CDT

Hello Danielle

Please go through the link below and download the NAMD specific file and
try again.

http://mackerell.umaryland.edu/~kenno/cgenff/program.shtml

Regards
Sourav

On Sat, Jun 13, 2015 at 12:09 AM, Danielle Grodi <danielle.grodi_at_gmail.com>
wrote:

> I've been working with DDM detergent and every time I run in namd I get
> this error:
>
> FATAL ERROR: UNABLE TO FIND BOND PARAMETERS FOR CTL2 OC301 (ATOMS 25 45)
>
> Parameter files I'm using
> parameters par_all36_lipid.prm
> parameters par_all36_carb.prm
> parameters toppar_water_ions_fixed.str
> parameters par_all36_cgenff.prm
> parameters par_all36_prot.prm
> parameters ddm.prm
> parameters toppar_all36_lipid_detergent.str
>
> Is there anyway that this issue can be fixed, I've looked everywhere
> online and cannot find a parameter file that includes the specific naming
> for CTL2 and OC301 in the same file.
>
> Thank you,
> Danielle
>

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:21:55 CST