I did follow the Gaussian/Gromacs QM/MM set up guide too and was not successful.
On Tue, Mar 8, 2011 at 1:28 PM, Jack Shultz wrote:
> Good luck. I followed the instructions and was not successful.
>
> On Tue, Mar 8, 2011 at 12:48 AM, Haresh wrote:
>>
>> Hello everyone,
>>
>> I want install groma
> # HF/6-31G OPT FREQ ^M ^M ARGUSLAB-GENERAT
Could be related to the ^M ^M characters? This sometimes happens when
you transfer files form windows to linux.
You may try "dos2unix"
On Thu, Feb 24, 2011 at 8:07 PM, Sergio Manzetti
wrote:
> No. It contains a charged Gandolinium ion in the middle o
gt; For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------
>
> "I Used To Care, But Things Have Changed" (Bob Dylan)
>
> On 02/17/2011 10:39 AM, Txema Mercero wrote:
>>
>> Here
Here it goes.
On Thu, Feb 17, 2011 at 9:49 AM, Gerrit Groenhof wrote:
>> 2. Re: Re: gromacs QM/MM compilation with gaussian (Txema
>> Mercero) (Txema Mercero)
>
> Can you send me your tpr file?
>
> Gerrit
>
> --
> gmx-users mailing list gmx-users@groma
rrit
> On 16 Feb 2011, at 14:39, Txema Mercero wrote:
>
>> I get the same error which I attach this time:
>>
>>
>>
>> -
>> Back Off! I just backed up md.log to ./#md.log.8#
>> Reading file topol.tpr, VERSION 4.5.3 (single
gt;
> Gerrit
>
>>
>> 1. Re: gromacs QM/MM compilation with gaussian (Txema Mercero)
>> 2. Re: Periodic Boundary Conditions g_mindist -pi (ifat shub)
>> 3. Re: Re: Periodic Boundary Conditions g_mindist -pi (Mark Abraham)
>>
>>
>>
. Where should GAUSS_EXE and GAUSS_DIR point exactly?
Thanks for your attention, any help will be appreciated.
Regards,
Txema Mercero
IZO/SGI
UPV/EHU
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