AMBER Archive (2001)

Subject: quasih again

From: dkon_at_email.arizona.edu
Date: Tue Dec 18 2001 - 13:30:05 CST

Thank you to David Case for answering my last query. However, quasih
seems to have a limit on the number of atoms which is not mentioned
in the documentation. When I try to run it with the following command:
$AMBERHOME/exe/quasih -nat 1471 -f 2 -m mass -x np4.xyz.13.str -v np4.13.vecs
-first 1 -last 308 -lastvec 20 < np4.tr.13.str
It gives me the following error:
Too many atoms specified: 1471 240
This is apparently independent of both the trajectory file and of
the mass input file - so quasih can only handle up to 240 atoms?
That seems incredible. I would appreciate your help! Thank you,
Dmitry.