AMBER Archive (2005)

Subject: RE: AMBER: Loading a macmodel file complex

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Tue Jul 05 2005 - 10:54:57 CDT

Dear Yogesh,

> I have been trying to load this complex (lig-protein)
> file into Amber8.0 but have been unsuccessful after
> trying many different ways.
>
> It is a macmodel file generated by QXP.

Can you convert this file to a pdb? Or Mol2 (TRIPOS)?

What you will need to do is convert it to either of these two file formats
and then load it into Leap and define the correct connectivity, atom types
etc. You will then be able to save a parm file.
 
All the best
Ross

/\
\/
|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel: +1 858 784 8889 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk | PGP Key available on request |

Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be ready every day, and should not be used for urgent or sensitive issues.

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu