Hi All,
I am trying to remove water and ions from my system, below mentioned is my
script which I am using with ptraj
trajin ../prod7.mdcrd
strip :WAT &!(384-408)
strip :Na+
trajout prod6_nowat.mdcrd mdcrd
I want to keep water 384 to 408 but during ptraj run these water molecules
are also stripping off.
Kindly suggest me how to proceed further..
Thanks and Regards,
HM
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Received on Fri Dec 21 2012 - 02:30:03 PST
