On Sun, Jun 24, 2012, Indrajit Deb wrote:
>
>
> Starting new chain with MG2
> Starting new chain with MG2
> Creating new UNIT for residue: MN sequence: 12
> Starting new chain with
> Created a new atom named: MN within residue: .R<MN 12>
> Starting new chain with TP3
> Starting new chain with TP3
> Starting new chain with TP3
> Starting new chain with TP3
> Starting new chain with TP3
> Starting new chain with TP3
>
> My questions are:
>
> 1. Is it working with crystal waters ?
Looks OK to me.
> 2. Is it working with the Mg2+
Yes, but bear in mind that Mg2+ parameters have problems.
> 3. How to get the Mn2+ parameters ?
I don't know. You could think about replacing Mn2+ with Mg2+.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jun 25 2012 - 05:00:03 PDT
