[gmx-users] problem in running grompp

[Samik Bhattacharya]

--- On Mon, 8/6/09, Justin A. Lemkul <jalemkul at vt.edu> wrote:

From: Justin A. Lemkul <jalemkul at vt.edu>
Subject: Re: [gmx-users] problem in running grompp
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Date: Monday, 8 June, 2009, 4:47 PM



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.

-Justin

> Thank You
> Shamik
> 
> 
> ------------------------------------------------------------------------
Thank you Justin for the answar. but now how to solve it? where should i make changes to correct that? pls let me know what to do... waiting for your answar....
Thank you again..
> 
> 
> ------------------------------------------------------------------------
> 
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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
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================
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