[gmx-users] problem in running grompp

Justin A. Lemkul jalemkul at vt.edu
Mon Jun 8 13:17:54 CEST 2009

Samik Bhattacharya wrote:
> 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.

If you're seeing this error, then you've done something wrong when combining 
lipid.itp with the Gromos force field file.


> Thank You
> Shamik
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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