AMBER Archive (2002)

Subject: .top files read into xLeap?

From: Arvid Soederhaell (arvid_at_fmp-berlin.de)
Date: Mon Nov 11 2002 - 04:24:00 CST

Thanks for the help concernig IG! This works different in the software i
am used to...

Now I have another question that has been bugging me:
Is it really so that one cannot read in .crd and .top into xLeap? Do i
have to go via ambpdb and a .pdb file???? I have a .top file that I have
edited in a coupple of points and now it contains a circular
polypeptide. While this is not standard i have to re-edit all changes when
i load in a .pdb flie created by ambpdb. One way to avoid this may be to
save the structure as an .off file, but then its messy to read in new
coordinates based on the same topology.

Arvid Soderhall