subject:"\[gmx\-users\] QM calculation"

Re: [gmx-users] QM calculation

2011-12-02 Thread Justin A. Lemkul

parto haghighi wrote: Dear Justin, Thank you for your response. I have already read your paper and I have tried semi empirical methods ( Antechamber) and QM from Spartan 10 and I can reach results which have consistence with your paper. But about large molecule like Lidocaine or Articaine I

[gmx-users] QM calculation

2011-12-02 Thread parto haghighi

Dear Justin, Thank you for your response. I have already read your paper and I have tried semi empirical methods ( Antechamber) and QM from Spartan 10 and I can reach results which have consistence with your paper. But about large molecule like Lidocaine or Articaine I have some problems. You said