[gmx-users] Re : Unusual Blow up

[Justin Lemkul]

On 9/1/15 10:29 PM, Nima Soltani wrote:
> Nima Soltani <nima.slt at ...> writes:
>
>>
>> Thank you for your kind help dear Justin
>> this is link of one of the pdb files that has been generated after Blow up
>> by Gromacs:
>> https://www.dropbox.com/s/e3h05hohwp1va7p/step2170066b.pdb?dl=0
>> What other types of information do I need to provide?
>> Best Regards,
>> Nima Soltani
>> ----------------------------------------------------------
>> Graduate Student of Physical Chemistry
>> Department of Chemistry,
>> Sharif University of Technology.
>> =================================
>
>
> excuse me
> it seems that the link is broken
> https://www.dropbox.com/l/WSn3CVnRZZy33coQ4QJWPp
>

And what does the starting structure look like?  You have lots of atoms that are 
very close together, but I have no idea what the surface should look like.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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