[gmx-users] Force field
Dr. Niharendu Choudhury
nihcho at barc.gov.in
Sat Mar 15 09:54:00 CET 2008
Hi GROMACS users,
I would like to study cyclodextrin + Thioflavin T in water. Is there any
forcefiled parameters for these in any of the force-field supplied with
GROMACS?
It will be extremely beneficial if anybody can supply field compatible with
GROMACS OR force-field parameters for CHARMM like potential functions.
Sincerely
Nihar
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* Dr. Niharendu Choudhury Tel: 91-22-2559 5089 *
* Theoretical Chemistry Section, Fax: 91-22-2550 5151 *
* RC & CD Division, Chemistry Group, 91-22-2551-9613 *
* Mod. Lab, Email: nihcho at barc.gov.in *
* Trombay, Mumbai-400 085 *
* INDIA *
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* Residence Tel. No. 91-22-2552 7832 *
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