[gmx-users] Re: Preparation of the pure lipid system with charmm force field

[James Starlight]

So I should to use topol.top obtained for 1 lipid as the lipid.itp for the
sustem contained of the same lipids, shouldnt I?

2011/10/21 Justin A. Lemkul <jalemkul at vt.edu>

>
>
> James Starlight wrote:
>
>> Justin,
>>
>> In that way there was only one point wich was not understood for me
>>
>>
>> In charmm I already have lipids.rtp with the parametries for my lipids.
>> Also I have a single molecule of my lipid.
>> How via pdb2gmx I could create parametrised itp file except of posre.itp ?
>>
>>
> If you don't need posre.itp, don't use it.  What you really need is the
> topology for the lipid, which pdb2gmx will write for you, provided the input
> is syntactically correct and in agreement with the .rtp file.
>
> -Justin
>
>
> --
> ==============================**==========
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> Justin A. Lemkul
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> ICTAS Doctoral Scholar
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> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
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