Re: minimization problem

From: himanshu chandola (beu99419_at_ccsun50.iitd.ac.in)
Date: Fri Mar 19 2004 - 05:42:41 CST

Dear Olya -
try editing your charmm file - there must be a line about the said angle.
You might consider deleting it!

himanshu
iit delhi

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"Blessed are the geek
for they will inherit the shell

        -- Fritz, 5:5"

On Thu, 18 Mar 2004, Olya Kravchenko wrote:

> Dear all! I have the following problem:
>
> I'm trying to minimize the structure of part of the molecule that I have
> edited by myself into the topology file (heme A type) and thus edit parameter
> file for missing bonds and angles (measure them in vmd, then write those into
> the parameter file with constants from similar bonds and angles that are
> already in parameter file). I get the following error:
>
> FATAL ERROR: UNABLE TO FIND ANGLE PARAMETERS FOR CT2 C CT3
> Aborted
>
> But I don't have such an angle in my structure! The atom types that I assigned
> to my structure seem to be correct. What can I do to resolve this?
>
> Thank you very much in advance!
>
> Olya
>

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