[gmx-users] using different force fields

Michael Tallhamer tallhamer at hotmail.com
Wed Aug 21 19:58:22 CEST 2002


Dear GROMACS Users,

I am fairly new to GROMACS and would like to use the ffgmx2 force field for 
the system I am working with as to maintain the hydrogens in my system as 
separate atoms and not part of a composite atom as in the ffgmx force field. 
However I am having a hard time getting GROMACS to read from the ffgmx2 
files. I haven't found any reference to this problem in the documentation 
and would appreciate any help those of you who are more experienced than 
myself can provide. Thank you in advance for any information you can offer.

Michael Tallhamer
Undergraduate Reseacher
Cleveland State University
e-mail: tallhamer at hotmail.com


_________________________________________________________________
Join the world’s largest e-mail service with MSN Hotmail. 
http://www.hotmail.com




More information about the gromacs.org_gmx-users mailing list