Re: [gmx-users] OPLS forcefield for Alkane and ethers?

2011-03-15 Thread Justin A. Lemkul
Sanku M wrote: Hi, I was wondering whether OPLS supports force-field for alkane chain or ethers . One of the molecule I am looking forward to using is ethylene glycol ( CH2-O-CH2-O-CH2 ). But, I was wondering whether it is available in OPLS forcefield . Practically speaking, if you can d

Re: [gmx-users] OPLS forcefield for Alkane and ethers?

2011-03-15 Thread David van der Spoel
On 2011-03-15 21.30, Sanku M wrote: Hi, I was wondering whether OPLS supports force-field for alkane chain or ethers . One of the molecule I am looking forward to using is ethylene glycol ( CH2-O-CH2-O-CH2 ). But, I was wondering whether it is available in OPLS forcefield . Any help will be appre

[gmx-users] OPLS forcefield for Alkane and ethers?

2011-03-15 Thread Sanku M
Hi, I was wondering whether OPLS supports force-field for alkane chain or ethers . One of the molecule I am looking forward to using is ethylene glycol ( CH2-O-CH2-O-CH2 ). But, I was wondering whether it is available in OPLS forcefield . Any help will be appreciated . Sanku -- gmx-