AMBER: Could not find atom type.

From: Sergey Krishtal <skrishtal.mail.ru>
Date: Mon, 17 Apr 2006 13:08:19 +0400

Dear Amber Users,

Could you advise me please what to do in the following situation: I`m going to simulate CH2-group as a single site. I specified this group as C2. When I try to save prmtop and inpcrd files I get the following message: "Could not found type C2". However, leaprc.ff03 adds C2-type with sp3 hybridization.

I would be grateful for any help.

Best regards,

Sergey Krishtal


-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Apr 18 2006 - 03:02:41 PDT
Custom Search