dear list,

to get a topology for norleucine i combined parameters from LEU (N,CA,CB, plus 
H´s, C, O) and MET (CG, CE, plus H´s). to get CD and its H´s i took parameters 
from MET CG as well. finally i adjusted the charges of CG and CD to get a 
residue topology with zero charge. can it be that easy???

merc
-- 


Der GMX SmartSurfer hilft bis zu 70% Ihrer Onlinekosten zu sparen!
Ideal für Modem und ISDN: http://www.gmx.net/de/go/smartsurfer
_______________________________________________
gmx-users mailing list    [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

Reply via email to