[gmx-users] Re: GROMACS 4.0.2 error Value of 'multiplicity' in Proper Dih. is 0

[Himanshu Khandelia]

No, David, I get no warnings at all. Is there a way to make warnings more 
explicit ?

Thank you

-Himanshu


On Tue, 13 Jan 2009, gmx-users-request at gromacs.org wrote:

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> Today's Topics:
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>   1. Re: smd_forces (Justin A. Lemkul)
>   2. Re: GROMACS 4.0.2 error Value of 'multiplicity' in Proper
>      Dih. is 0, (David van der Spoel)
>   3. Re: Re: g_clustsize bug (Alessandro Magliano)
>   4. Re: Re: Re: g_clustsize bug (David van der Spoel)
>
> Message: 2
> Date: Tue, 13 Jan 2009 19:36:35 +0100
> From: David van der Spoel <spoel at xray.bmc.uu.se>
> Subject: Re: [gmx-users] GROMACS 4.0.2 error Value of 'multiplicity'
> 	in Proper	Dih. is 0,
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Message-ID: <496CDF33.6070604 at xray.bmc.uu.se>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>
> himanshu khandelia wrote:
>> Hi,
>>
>> I am using grompp after installing gromacs 4.0.2, and get the following
>> error for a single lipid molecule:
>>
>> -------------------------------------------------------
>> Program grompp, VERSION 4.0.2
>> Source code file: convparm.c, line: 68
>>
>> Fatal error:
>> Value of 'multiplicity' in Proper Dih. is 0, which is smaller than the
>> minimum of 1
>> -------------------------------------------------------
>
> you probably got a warning as well.
>
>>
>> I do not get any such error using grompp v. 3.3.3.
>>
>> Anyone know whats going on ?
>>
>> The topology looks fine, there is no dihedral with multiplicity 0. Is
>> this a formatting problem ?
>>
>> Thank you for the help,
>>