Water-adding, or indeed solvent adding feature is also available in DL_FIELD.
Regards
Chin Yong
________________________________
From: DL_POLY Mailing List <[log in to unmask]> on behalf of Alin Marin Elena - UKRI STFC <[log in to unmask]>
Sent: 19 February 2019 20:02:44
To: [log in to unmask]
Subject: Re: utility WATERADD
Hi Henk,
it is in the utility folder
gfortran -o wateradd.x wateradd.f
to build it.
Regards,
Alin
Without Questions there are no Answers!
________________________________________
Dr. Alin Marin ELENA MInstP
Daresbury Laboratory, STFC
Sci-Tech, Keckwick Lane
Daresbury, Warrington, Cheshire
UK, WA4 4AD
https://www.scd.stfc.ac.uk/Pages/Alin-Elena.aspx
+44 (0) 1925 60 3080
________________________________________
________________________________________
From: DL_POLY Mailing List <[log in to unmask]> on behalf of Henk Huinink <[log in to unmask]>
Sent: 19 February 2019 19:19:12
To: [log in to unmask]
Subject: [DLPOLY] utility WATERADD
Dear all,
In the manuals of DL_POLY classic and version 4.09 a reference is made to the utility WATERADD. It sounds as a handy tool. Else I have to write my own script to add water to a CONFIG file. Unfortunately, I could not find more info.
Does anybody have experience with this utility? How to use it?
Regards,
Henk
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