Re: [AMBER] force field library for protonated cytosine

From: Asmita Gupta <asmita4des.gmail.com>
Date: Tue, 26 Jun 2012 00:12:22 +0530

I used that command too...here is the output of "desc"

RESIDUE name: PC
RESIDUE sequence number: 1
RESIDUE PDB sequence number: 0
Type: nucleic
Connection atoms:
 Connect atom 0: A<P1 1>
 Connect atom 1: A<O17 17>
Improper torsions:
Contents:
A<P1 1>
A<O2 2>
A<O3 3>
A<O4 4>
A<C5 5>
A<H6 6>
A<H7 7>
A<C8 8>
A<H9 9>
A<O10 10>
A<C11 11>
A<H12 12>
A<C13 13>
A<H14 14>
A<C15 15>
A<H16 16>
A<O17 17>
A<H18 18>
A<O19 19>
A<H20 20>
A<N21 21>
A<C22 22>
A<O23 23>
A<N24 24>
A<H25 25>
A<C26 26>
A<N27 27>
A<H28 28>
A<H29 29>
A<C30 30>
A<H31 31>
A<C32 32>
A<H33 33>

at position 24 and 25 there are N24 and H25. But the bond command is still
generating this error.

Asmita

On Mon, Jun 25, 2012 at 11:46 PM, David A Case <case.biomaps.rutgers.edu>wrote:

> On Mon, Jun 25, 2012, Asmita Gupta wrote:
> >
> > bond c.24.N24 c.25.H25
> > bond: Argument #1 is type String must be of type: [atom]
>
> Use the "desc" command in LEaP to see the atom names and properties of
> everything that you have loaded. It seems likely that residue 24 of unit c
> does not have an atom named "N24".
>
> ....dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jun 25 2012 - 12:00:03 PDT
Custom Search