AMBER Archive (2009)

Subject: Re: [AMBER] crystal waters

• Previous message: Carmen Domene: "Re: [AMBER] crystal waters"
• In reply to: Carmen Domene: "Re: [AMBER] crystal waters"
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Hi,

in that case, could you post your leap output? Does leap complain in any
way during reading the pdb-file? What does the 'check <molecule>' command
give?

Are you sure that SHAKE is turned on in your simulations? Not having that
on might mess up your water geometries...

Regards,

Thomas

Dr. Thomas Steinbrecher
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854

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• Previous message: Carmen Domene: "Re: [AMBER] crystal waters"
• In reply to: Carmen Domene: "Re: [AMBER] crystal waters"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]