[gmx-users] g_rama Fatal error & Ace group (again)

[Jake .]

I'm using the OPLS ff, and have encountered the message "Fatal error: 
Dihedral around 6,7 not found in topology".
Others have encountered this and been advised to make a ffgmx2 topology file 
for the purposes of analysis.  That's all well and good, except that I've 
already gone to a lot of trouble to create all of my own custom residue 
types in the OPLS ff.  Seems like a lot of work to make more new entries for 
my 33-atom+ residues in another forcefield when I really don't even care 
about what the very end of the protein is doing.  I've already got about 
10ns in each of 3 parallel jobs for this system. Is it possible to have 
g_rama ignore that first dihedral for the pruposes of analysis? I know 
there's no option available from the help list, so how feasible will it be 
to just edit the source for g_rama?

Thanks all,
MJP

_________________________________________________________________
Take advantage of powerful junk e-mail filters built on patented Microsoft® 
SmartScreen Technology. 
http://join.msn.com/?pgmarket=en-ca&page=byoa/prem&xAPID=1994&DI=1034&SU=http://hotmail.com/enca&HL=Market_MSNIS_Taglines 
  Start enjoying all the benefits of MSN® Premium right now and get the 
first two months FREE*.