priyankaps4 at yahoo.com
Wed Jul 19 12:19:34 CEST 2006
Thank you all for such a prompt reply :-)
I am running grompp for a pure lipid system and grompp
gives me the error that:
number of coordinates in coordinate file
(96_neatsys14.gro, 19926) does not match topology
I found out that the total 6912 atoms (19926-13014)
that grompp is not taking are the Hydrogens attached
to the 96 DMPC lipids.
Can I keep these hydrogens with me since for lipids
united atoms approach might not help? Can I
incorporate OPLS forcefeild somehow into it?
Kindly suggest me something,
eagerly waiting for the reply,
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