OK, by examining unitio.c file in leap/src/leap folder, it looks like ncopy wasn't written out, although rdparm.F90 tries to read it.
ncopy was initialized in sander.F90 *before* the attempt to read, and afterward it is assigned the value 0.
I don't know if this will cause any problems but the simulations I ran went well so far.
Zimin
-----Message d'origine-----
De : Feng, Zimin
Envoyé : 3 mai 2019 11:11
À : AMBER Mailing List
Objet : FLAG_POINTERS in prmtop file
Dear Amber community,
I just found something very strange...
In the prmtop file produced by leap, there are 31 numbers in the FLAG_POINTERS entry. But by checking rdparm.F90, there are 32 numbers to be read, the last one being NCOPY.
I am using Amber18.
Regards,
Zimin
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Received on Fri May 03 2019 - 09:30:02 PDT
