hi,gmx-users,
I would like to study hydrogen bond in acetaldehyde system with Opls-AA
force-field. But I found that the charge of hydrogen connecting to carbonyl
group in acetaldehyde is 0 in the Opls-AA force-field.So it is not fit for me.
It will be appreciated if anybody can supply forcefield parameters of the
acetaldehyde or some suggestion for me.
Jinyao Wang
[EMAIL PROTECTED]
2008-11-02
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