Dear Amber users,
I am using amber to simulate the interactions between an amino acid (GLY or SER) and the protein. In pH=7, this amino acid should be neautral, with a positively charged N-termini and a negatively charged C-termini. When I load my complex to leap, it comlains. And I cannot obtain the prmtop and inpcrd files.
Now, I can use antechamber to produce the parameters, and it works well. Nevertheless, I want to know weather we can do this directly using leap by chaning the names of the input file ?
I have searched the email list in the past. Unfortunately, no answer can help me solve my problem.
Thanks for your help !
Rilei Yu
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Received on Mon Apr 22 2013 - 06:00:05 PDT
