[AMBER] Difference between lower case and upper case in atomtype?

From: egeh00 <egeh00.aol.com>
Date: Sun, 11 Aug 2013 22:36:43 -0600

Dear all,

I saw that the names of atomtype are all lower case in gaff.dat, but in Glycam_06g.dat the names of atomtype are all upper case. There are some same items between the two force field files are the same, such as ho, oh, ha, hc. If I use a mix force field with amber and glycam, are they the same or different among the items such as HC and hc, HA and ha?

Sincerely,

Xiaoquan Sun.



2013-08-11



egeh00
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Aug 11 2013 - 21:00:02 PDT
Custom Search