[gmx-users] problem in running grompp
samikbhat at yahoo.co.in
Mon Jun 8 08:49:01 CEST 2009
i am simulating a membrane protein in POPC bilayer and for that i am following justin's tutorial.it's a nice tutorial and is really helpful. but i'm facing some problems in running the grompp command. after the solvation when i am going to run grompp, it is generting an error as follows --------
''Program grompp, VERSION 4.0.5
Source code file: toppush.c, line: 843
Atomtype CA not found''
but is not CA the main chain alpha carbon...why is not grompp taking CA then? i can't make out where the problem lies? i little help on this shall be very encouraging.
Explore and discover exciting holidays and getaways with Yahoo! India Travel http://in.travel.yahoo.com/
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users