[AMBER] Fwd: Can't load MEOHBOX as solvent

From: Chetna Tyagi <cheta231.gmail.com>
Date: Wed, 8 Nov 2017 17:08:50 +0100

---------- Forwarded message ----------
From: Chetna Tyagi <cheta231.gmail.com>
Date: Wed, Nov 8, 2017 at 4:41 PM
Subject: Can't load MEOHBOX as solvent
To: AMBER Mailing List <amber.ambermd.org>

Dear all,

I want to simulate a peptide in methanol solvent. Following the commands in
the reference manual to make .prmtop file I tried to solvate using
"loadamberparams frcmod.meoh".

When I solvate an error occurs,

solvateBox TPN MEOHBOX 12.0 0.8
solvateBox: Argument #2 is type String must be of type: [unit]
usage: solvateBox <solute> <solvent> <buffer> [iso] [closeness]

To clear this, I loaded "loadamberparams solvents.lib" which gave a long
error describing "mass not read-omitting".

Please advice on what could be wrong.

Note: I was able to solvate in TIP3P water before without having to load

Best wishes
AMBER mailing list
Received on Wed Nov 08 2017 - 08:30:03 PST
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