[gmx-users] proper and improper dihedrals in topology file from other ff

[Justin Lemkul]

On 3/22/13 9:18 AM, 라지브간디 wrote:
> Dear Justin,
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> I got understand the gromos ff improper style. however, what i am asking here is how would i use the charmm/amber improper from literuatre where they indicate the improper in this was ( something X-X)
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> Improper
>> CPB-X-X-CR1E 90.0 0.0
>> CC - X-X-NB 18.3 0.0
>>
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> What X shows here and how do i use this in gromos format way?
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I don't understand entirely what you're trying to do.  You shouldn't be trying 
to implement CHARMM or AMBER parameters in Gromos.  X is a generic indicator 
signifying any atom.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
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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