Hi!
ntx=7 is there...just the manual lacks it.
the others I dont know ..maybe others will answer,
hope this helps,
vlaf
Pingna Xu wrote:
>Hi,
>
>I want to run molecular dynamics for protein-DNA system using Sander in Amber7.I have noticed that in Sander7,there are only options 1-6 for the card "NTX".But I want to set NTX=7 for the MD.Is that OK?
>And I also found that in Sander7,there is no "npscal" or "ndfmin" anymore.But the guys in our lab always set ndfmin=6 and npscal=1 for the MD since they use earlier versions of Amber.What should I do with these two cards since I am using Amber7?Thanks!
>
>Pingna
>
>
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--
Vlad Cojocaru
Max Planck Institute for Biophysical Chemistry
Department: 060
Am Fassberg 11, 37077 Goettingen, Germany
tel: ++49-551-201.1327
e-mail: Vlad.Cojocaru.mpi-bpc.mpg.de
home tel: ++49-551-9963204
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Received on Wed Nov 12 2003 - 20:53:01 PST
