[gmx-users] Re: gmx-users Digest, Vol 62, Issue 158

[Vitaly V. Chaban]

>
> I am trying to add an extra repulsive potential for neighboring hydroxyl
> groups on a carbon chain and have heard that this can be done using table
> functions.  Is there a good resource on how to create these table function
> files or even someplace where I could get an example of them?  Thanks.
>
>
The examples are in the topology folder of the gromacs installation. As for
me they are quite self-explanatory.


-- 
Vitaly V. Chaban, Ph.D. (ABD)
School of Chemistry
V.N. Karazin Kharkiv National University
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua,vvchaban at gmail.com
skype: vvchaban, mob.: +38-097-8259698
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