[AMBER] System preparation for protein with Multiple Zn-CCCC

From: Parthiban Marimuthu <mparthib.gmail.com>
Date: Fri, 6 Oct 2017 12:16:07 -0400


Can some one tell now to prepare the protein that contains two Zn- metal
centre coordinated with four cystine each.
2 X (Zn-CCCC).

Using the ZAFF tutorial, i can prepare the system for one Zn- metal centre.

But for two metal centre, the tleap system preparation fails.

Pls find attached my input and output files.

Best, Parthiban.

AMBER mailing list

Received on Fri Oct 06 2017 - 09:30:03 PDT
Custom Search