[gmx-users] problem in running grompp

Samik Bhattacharya samikbhat at yahoo.co.in
Mon Jun 8 08:49:01 CEST 2009


hi
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

Fatal error:
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.
Thank You
Shamik




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