Hi Po-Han,
You may run parmchk to get the missing parameters and load the file to LEAP
using loadamberparams command before save topologies.
Best
Junmei
On Mon, Jun 2, 2008 at 4:20 PM, Lin, Pohan <pohan.lin.ttu.edu> wrote:
> Dear Amber developers,
>
>
>
> I am using LEaP program and gaff force field in AmberTools 1.0 to
> generate topology file for dimethyl esters. However, there is one missing
> angle parameter ( ce(cf) – c – os ) so parameter file cannot be saved. Have
> anyone experienced similar problem and solved it?
>
>
>
> Thanks,
>
> Po-Han
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Wed Jun 04 2008 - 06:07:51 PDT
